N E dE d eps ncg rms rms(c)
DAV: 1 0.162491714506E+04 0.16249E+04 -0.14910E+05113880 0.116E+03
DAV: 2 -0.457360225140E+03 -0.20823E+04 -0.19897E+04141189 0.296E+02
DAV: 3 -0.620282337969E+03 -0.16292E+03 -0.15888E+03137391 0.832E+01
DAV: 4 -0.625606096383E+03 -0.53238E+01 -0.52833E+01144906 0.146E+01
DAV: 5 -0.625757288497E+03 -0.15119E+00 -0.15086E+00142809 0.252E+00 0.429E+01
RMM: 6 -0.586342879737E+03 0.39414E+02 -0.78774E+01113880 0.142E+01 0.260E+01
RMM: 7 -0.580651347785E+03 0.56915E+01 -0.24368E+01113892 0.931E+00 0.183E+01
RMM: 8 -0.576642338066E+03 0.40090E+01 -0.12685E+01114161 0.642E+00 0.962E+00
RMM: 9 -0.576242932236E+03 0.39941E+00 -0.44049E+00117478 0.367E+00 0.546E+00
RMM: 10 -0.576090455732E+03 0.15248E+00 -0.95141E-01115423 0.186E+00 0.254E+00
RMM: 11 -0.576075206952E+03 0.15249E-01 -0.30468E-01117497 0.992E-01 0.128E+00
RMM: 12 -0.576068921404E+03 0.62855E-02 -0.90305E-02116787 0.567E-01 0.565E-01
RMM: 13 -0.576069810577E+03 -0.88917E-03 -0.21327E-02121121 0.271E-01 0.312E-01
RMM: 14 -0.576070415457E+03 -0.60488E-03 -0.56042E-03122640 0.136E-01 0.185E-01
RMM: 15 -0.576071178898E+03 -0.76344E-03 -0.17841E-03117646 0.807E-02 0.991E-02
RMM: 16 -0.576071504772E+03 -0.32587E-03 -0.58453E-04117275 0.489E-02 0.435E-02
RMM: 17 -0.576071576952E+03 -0.72181E-04 -0.20409E-04120149 0.275E-02 0.242E-02
RMM: 18 -0.576071585906E+03 -0.89536E-05 -0.77622E-05102564 0.154E-02
1 F= -.57607159E+03 E0= -.57606938E+03 d E =-.576072E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.265094564823E+03 0.31098E+03 -0.20392E+04121305 0.346E+02 0.136E+02
RMM: 2 -0.498046249044E+03 -0.23295E+03 -0.26036E+03124331 0.119E+02 0.296E+01
RMM: 3 -0.538925594363E+03 -0.40879E+02 -0.43521E+02129150 0.458E+01 0.410E+01
RMM: 4 -0.535585911965E+03 0.33397E+01 -0.78014E+01127853 0.181E+01 0.348E+01
RMM: 5 -0.531733394912E+03 0.38525E+01 -0.32332E+01114693 0.118E+01 0.212E+01
RMM: 6 -0.531201749074E+03 0.53165E+00 -0.86010E+00120529 0.573E+00 0.139E+01
RMM: 7 -0.530889057263E+03 0.31269E+00 -0.32998E+00121725 0.288E+00 0.101E+01
RMM: 8 -0.530699652382E+03 0.18940E+00 -0.17006E+00116156 0.236E+00 0.531E+00
RMM: 9 -0.530672649072E+03 0.27003E-01 -0.42902E-01118480 0.128E+00 0.222E+00
RMM: 10 -0.530627976043E+03 0.44673E-01 -0.13753E-01117629 0.707E-01 0.103E+00
RMM: 11 -0.530625086966E+03 0.28891E-02 -0.63906E-02117851 0.454E-01 0.524E-01
RMM: 12 -0.530626823697E+03 -0.17367E-02 -0.21613E-02124063 0.248E-01 0.389E-01
RMM: 13 -0.530625312054E+03 0.15116E-02 -0.71045E-03114580 0.163E-01 0.119E-01
RMM: 14 -0.530625773357E+03 -0.46130E-03 -0.32492E-03117773 0.108E-01 0.127E-01
RMM: 15 -0.530625485291E+03 0.28807E-03 -0.64985E-04115533 0.494E-02 0.396E-02
RMM: 16 -0.530625495560E+03 -0.10270E-04 -0.37477E-04114368 0.352E-02 0.248E-02
RMM: 17 -0.530625492164E+03 0.33966E-05 -0.71500E-05 94883 0.142E-02
2 F= -.53062549E+03 E0= -.53062291E+03 d E =0.454461E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.548508892715E+03 -0.17883E+02 -0.90335E+03113880 0.229E+02 0.770E+01
RMM: 2 -0.610398027968E+03 -0.61889E+02 -0.82358E+02121794 0.643E+01 0.188E+01
RMM: 3 -0.625371534966E+03 -0.14974E+02 -0.17945E+02125822 0.263E+01 0.264E+01
RMM: 4 -0.622062013084E+03 0.33095E+01 -0.19366E+01115472 0.101E+01 0.224E+01
RMM: 5 -0.621283639247E+03 0.77837E+00 -0.57585E+00118556 0.520E+00 0.175E+01
RMM: 6 -0.621049287428E+03 0.23435E+00 -0.24431E+00114403 0.326E+00 0.103E+01
RMM: 7 -0.620776655304E+03 0.27263E+00 -0.10544E+00114044 0.215E+00 0.348E+00
RMM: 8 -0.620734369488E+03 0.42286E-01 -0.50167E-01114395 0.146E+00 0.160E+00
RMM: 9 -0.620721656821E+03 0.12713E-01 -0.12353E-01122650 0.683E-01 0.908E-01
RMM: 10 -0.620715301085E+03 0.63557E-02 -0.31132E-02114980 0.372E-01 0.346E-01
RMM: 11 -0.620715234973E+03 0.66113E-04 -0.11311E-02120311 0.213E-01 0.234E-01
RMM: 12 -0.620715623493E+03 -0.38852E-03 -0.33842E-03126437 0.109E-01 0.162E-01
RMM: 13 -0.620715514261E+03 0.10923E-03 -0.20140E-03113880 0.837E-02 0.131E-01
RMM: 14 -0.620715352301E+03 0.16196E-03 -0.30462E-04114063 0.359E-02 0.309E-02
RMM: 15 -0.620715361113E+03 -0.88122E-05 -0.10032E-04109530 0.193E-02 0.119E-02
RMM: 16 -0.620715362227E+03 -0.11144E-05 -0.17793E-05 73288 0.809E-03
3 F= -.62071536E+03 E0= -.62071077E+03 d E =-.446438E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.401817779664E+03 0.21890E+03 -0.15553E+04121368 0.296E+02 0.987E+01
RMM: 2 -0.529556397261E+03 -0.12774E+03 -0.14757E+03117134 0.895E+01 0.271E+01
RMM: 3 -0.545183091517E+03 -0.15627E+02 -0.23206E+02130929 0.338E+01 0.295E+01
RMM: 4 -0.544110094170E+03 0.10730E+01 -0.57190E+01125980 0.146E+01 0.199E+01
RMM: 5 -0.544391259821E+03 -0.28117E+00 -0.15077E+01120169 0.730E+00 0.954E+00
RMM: 6 -0.544373100855E+03 0.18159E-01 -0.30375E+00123555 0.345E+00 0.555E+00
RMM: 7 -0.544342715152E+03 0.30386E-01 -0.83019E-01119519 0.181E+00 0.171E+00
RMM: 8 -0.544349973980E+03 -0.72588E-02 -0.22419E-01131915 0.910E-01 0.782E-01
RMM: 9 -0.544351044333E+03 -0.10704E-02 -0.43716E-02120864 0.411E-01 0.365E-01
RMM: 10 -0.544352148292E+03 -0.11040E-02 -0.12801E-02121004 0.220E-01 0.145E-01
RMM: 11 -0.544352377533E+03 -0.22924E-03 -0.36934E-03134010 0.111E-01 0.735E-02
RMM: 12 -0.544352434926E+03 -0.57394E-04 -0.55501E-04126921 0.417E-02 0.365E-02
RMM: 13 -0.544352440972E+03 -0.60459E-05 -0.11878E-04113003 0.208E-02 0.123E-02
RMM: 14 -0.544352443135E+03 -0.21624E-05 -0.26102E-05 79060 0.938E-03
4 F= -.54435244E+03 E0= -.54437203E+03 d E =0.763629E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.581618872398E+03 -0.37266E+02 -0.80060E+03114906 0.215E+02 0.586E+01
RMM: 2 -0.634057865421E+03 -0.52439E+02 -0.70086E+02133156 0.593E+01 0.242E+01
RMM: 3 -0.638579633665E+03 -0.45218E+01 -0.11041E+02122510 0.218E+01 0.257E+01
RMM: 4 -0.635934109616E+03 0.26455E+01 -0.15126E+01116782 0.890E+00 0.196E+01
RMM: 5 -0.635442619042E+03 0.49149E+00 -0.77765E+00114969 0.567E+00 0.109E+01
RMM: 6 -0.635120885997E+03 0.32173E+00 -0.13228E+00115711 0.252E+00 0.916E+00
RMM: 7 -0.635030842780E+03 0.90043E-01 -0.75226E-01114012 0.183E+00 0.324E+00
RMM: 8 -0.634980178711E+03 0.50664E-01 -0.26787E-01120230 0.989E-01 0.156E+00
RMM: 9 -0.634984337923E+03 -0.41592E-02 -0.59825E-02127772 0.470E-01 0.101E+00
RMM: 10 -0.634976695194E+03 0.76427E-02 -0.24517E-02114066 0.303E-01 0.165E-01
RMM: 11 -0.634977775304E+03 -0.10801E-02 -0.98377E-03118531 0.181E-01 0.187E-01
RMM: 12 -0.634977470293E+03 0.30501E-03 -0.14047E-03114556 0.778E-02 0.419E-02
RMM: 13 -0.634977524470E+03 -0.54177E-04 -0.49762E-04122803 0.402E-02 0.213E-02
RMM: 14 -0.634977526645E+03 -0.21742E-05 -0.11513E-04110693 0.191E-02 0.115E-02
RMM: 15 -0.634977527241E+03 -0.59615E-06 -0.19359E-05 73692 0.834E-03
5 F= -.63497753E+03 E0= -.63497278E+03 d E =-.142622E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.518795194885E+03 0.11618E+03 -0.11080E+04114456 0.248E+02 0.867E+01
RMM: 2 -0.610337173857E+03 -0.91542E+02 -0.10488E+03121129 0.755E+01 0.214E+01
RMM: 3 -0.616817932131E+03 -0.64808E+01 -0.13770E+02116558 0.272E+01 0.257E+01
RMM: 4 -0.614918642053E+03 0.18993E+01 -0.23728E+01116092 0.116E+01 0.192E+01
RMM: 5 -0.614533844803E+03 0.38480E+00 -0.70105E+00118542 0.588E+00 0.131E+01
RMM: 6 -0.614547986787E+03 -0.14142E-01 -0.15359E+00122289 0.266E+00 0.110E+01
RMM: 7 -0.614435167739E+03 0.11282E+00 -0.86697E-01113914 0.191E+00 0.300E+00
RMM: 8 -0.614387707837E+03 0.47460E-01 -0.31858E-01114748 0.117E+00 0.142E+00
RMM: 9 -0.614398978989E+03 -0.11271E-01 -0.12173E-01119740 0.669E-01 0.141E+00
RMM: 10 -0.614382832527E+03 0.16146E-01 -0.37884E-02114569 0.382E-01 0.553E-01
RMM: 11 -0.614381554939E+03 0.12776E-02 -0.28351E-02114944 0.313E-01 0.191E-01
RMM: 12 -0.614381590711E+03 -0.35772E-04 -0.36696E-03121265 0.119E-01 0.104E-01
RMM: 13 -0.614381730902E+03 -0.14019E-03 -0.12986E-03124043 0.619E-02 0.489E-02
RMM: 14 -0.614381756694E+03 -0.25792E-04 -0.21298E-04125744 0.266E-02 0.272E-02
RMM: 15 -0.614381755399E+03 0.12952E-05 -0.46745E-05 93724 0.137E-02
6 F= -.61438176E+03 E0= -.61437469E+03 d E =0.205958E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.616721074205E+03 -0.23393E+01 -0.52130E+03113880 0.173E+02 0.354E+01
RMM: 2 -0.641724494014E+03 -0.25003E+02 -0.29001E+02113881 0.393E+01 0.110E+01
RMM: 3 -0.644804602650E+03 -0.30801E+01 -0.43784E+01120004 0.145E+01 0.118E+01
RMM: 4 -0.644652322015E+03 0.15228E+00 -0.64651E+00116998 0.593E+00 0.872E+00
RMM: 5 -0.644536129447E+03 0.11619E+00 -0.15341E+00114424 0.284E+00 0.545E+00
RMM: 6 -0.644441406586E+03 0.94723E-01 -0.43555E-01117515 0.144E+00 0.305E+00
RMM: 7 -0.644427197056E+03 0.14210E-01 -0.21677E-01114019 0.102E+00 0.681E-01
RMM: 8 -0.644428888152E+03 -0.16911E-02 -0.51242E-02128390 0.452E-01 0.413E-01
RMM: 9 -0.644428237957E+03 0.65019E-03 -0.10835E-02114794 0.219E-01 0.165E-01
RMM: 10 -0.644428499651E+03 -0.26169E-03 -0.33877E-03124792 0.112E-01 0.106E-01
RMM: 11 -0.644428484627E+03 0.15023E-04 -0.57918E-04118538 0.503E-02 0.367E-02
RMM: 12 -0.644428494074E+03 -0.94464E-05 -0.18109E-04117834 0.271E-02 0.166E-02
RMM: 13 -0.644428496584E+03 -0.25105E-05 -0.43142E-05 87414 0.127E-02
7 F= -.64442850E+03 E0= -.64441844E+03 d E =-.945097E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.638424052567E+03 0.60044E+01 -0.37564E+03115779 0.148E+02 0.312E+01
RMM: 2 -0.651063706550E+03 -0.12640E+02 -0.15396E+02113880 0.289E+01 0.105E+01
RMM: 3 -0.652557539598E+03 -0.14938E+01 -0.21999E+01115126 0.108E+01 0.101E+01
RMM: 4 -0.651675481024E+03 0.88206E+00 -0.39356E+00121091 0.450E+00 0.928E+00
RMM: 5 -0.652971150530E+03 -0.12957E+01 -0.20278E+00114252 0.278E+00 0.766E+00
RMM: 6 -0.651389986059E+03 0.15812E+01 -0.79587E-01114088 0.178E+00 0.288E+00
RMM: 7 -0.651455837416E+03 -0.65851E-01 -0.47542E-01114698 0.111E+00 0.265E+00
RMM: 8 -0.651347537097E+03 0.10830E+00 -0.61887E-02115884 0.546E-01 0.887E-01
RMM: 9 -0.651346559766E+03 0.97733E-03 -0.32613E-02114495 0.308E-01 0.856E-01
RMM: 10 -0.651346231714E+03 0.32805E-03 -0.11643E-02114514 0.200E-01 0.700E-01
RMM: 11 -0.651340687779E+03 0.55439E-02 -0.22334E-03117692 0.998E-02 0.110E-01
RMM: 12 -0.651340885335E+03 -0.19756E-03 -0.62105E-04123107 0.445E-02 0.803E-02
RMM: 13 -0.651340929602E+03 -0.44266E-04 -0.26284E-04115267 0.247E-02 0.897E-02
RMM: 14 -0.651340858594E+03 0.71008E-04 -0.52196E-05 91706 0.153E-02 0.133E-02
RMM: 15 -0.651340860844E+03 -0.22499E-05 -0.11244E-05 71208 0.673E-03
8 F= -.65134086E+03 E0= -.65132422E+03 d E =-.691236E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.654092001882E+03 -0.27511E+01 -0.50785E+02114030 0.553E+01 0.622E+00
RMM: 2 -0.655045189044E+03 -0.95319E+00 -0.13295E+01113880 0.837E+00 0.398E+00
RMM: 3 -0.655146982734E+03 -0.10179E+00 -0.18425E+00115731 0.313E+00 0.423E+00
RMM: 4 -0.655002635183E+03 0.14435E+00 -0.38644E-01118295 0.138E+00 0.242E+00
RMM: 5 -0.654978768462E+03 0.23867E-01 -0.10099E-01114408 0.732E-01 0.127E+00
RMM: 6 -0.654972533344E+03 0.62351E-02 -0.52221E-02114182 0.497E-01 0.292E-01
RMM: 7 -0.654972847979E+03 -0.31463E-03 -0.10865E-02125638 0.214E-01 0.124E-01
RMM: 8 -0.654972824816E+03 0.23162E-04 -0.18960E-03121192 0.910E-02 0.710E-02
RMM: 9 -0.654972831765E+03 -0.69492E-05 -0.42627E-04117785 0.429E-02 0.292E-02
RMM: 10 -0.654972838497E+03 -0.67320E-05 -0.10551E-04116841 0.205E-02 0.114E-02
RMM: 11 -0.654972839927E+03 -0.14296E-05 -0.20990E-05 72160 0.957E-03
9 F= -.65497284E+03 E0= -.65495894E+03 d E =-.105443E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.648800426293E+03 0.61724E+01 -0.27927E+03116220 0.128E+02 0.239E+01
RMM: 2 -0.658994251740E+03 -0.10194E+02 -0.12062E+02113880 0.247E+01 0.896E+00
RMM: 3 -0.660392352358E+03 -0.13981E+01 -0.17056E+01116351 0.914E+00 0.855E+00
RMM: 4 -0.659818583535E+03 0.57377E+00 -0.27768E+00120018 0.373E+00 0.747E+00
RMM: 5 -0.660980540385E+03 -0.11620E+01 -0.19666E+00114637 0.264E+00 0.752E+00
RMM: 6 -0.659632447491E+03 0.13481E+01 -0.54335E-01114137 0.149E+00 0.338E+00
RMM: 7 -0.659623073614E+03 0.93739E-02 -0.42579E-01115246 0.100E+00 0.216E+00
RMM: 8 -0.659543317015E+03 0.79757E-01 -0.62215E-02115690 0.524E-01 0.657E-01
RMM: 9 -0.659539186352E+03 0.41307E-02 -0.19277E-02117116 0.250E-01 0.256E-01
RMM: 10 -0.659539564332E+03 -0.37798E-03 -0.55262E-03120623 0.139E-01 0.192E-01
RMM: 11 -0.659540151313E+03 -0.58698E-03 -0.17356E-03116119 0.738E-02 0.248E-01
RMM: 12 -0.659539420458E+03 0.73085E-03 -0.53352E-04114267 0.416E-02 0.788E-02
RMM: 13 -0.659539402576E+03 0.17882E-04 -0.12018E-04114262 0.226E-02 0.242E-02
RMM: 14 -0.659539405075E+03 -0.24985E-05 -0.45922E-05 87607 0.114E-02
10 F= -.65953941E+03 E0= -.65952533E+03 d E =-.456657E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.661056131505E+03 -0.15167E+01 -0.38824E+02114150 0.482E+01 0.543E+00
RMM: 2 -0.662131916482E+03 -0.10758E+01 -0.11063E+01113880 0.743E+00 0.417E+00
RMM: 3 -0.661898910028E+03 0.23301E+00 -0.15429E+00116814 0.275E+00 0.238E+00
RMM: 4 -0.661876806969E+03 0.22103E-01 -0.28337E-01119159 0.117E+00 0.167E+00
RMM: 5 -0.661870425027E+03 0.63819E-02 -0.90489E-02114174 0.662E-01 0.118E+00
RMM: 6 -0.661864947502E+03 0.54775E-02 -0.31299E-02114706 0.388E-01 0.718E-01
RMM: 7 -0.661860883876E+03 0.40636E-02 -0.83879E-03116904 0.194E-01 0.321E-01
RMM: 8 -0.661860374642E+03 0.50923E-03 -0.22097E-03119655 0.963E-02 0.188E-01
RMM: 9 -0.661860081169E+03 0.29347E-03 -0.64880E-04119524 0.493E-02 0.598E-02
RMM: 10 -0.661860077949E+03 0.32204E-05 -0.16406E-04121401 0.238E-02 0.156E-02
RMM: 11 -0.661860083190E+03 -0.52409E-05 -0.27707E-05 77322 0.103E-02
11 F= -.66186008E+03 E0= -.66184342E+03 d E =-.688724E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.655272860247E+03 0.65872E+01 -0.22910E+03113880 0.116E+02 0.176E+01
RMM: 2 -0.663274128426E+03 -0.80013E+01 -0.95695E+01113880 0.215E+01 0.686E+00
RMM: 3 -0.663914584628E+03 -0.64046E+00 -0.12107E+01116000 0.776E+00 0.587E+00
RMM: 4 -0.664020646951E+03 -0.10606E+00 -0.21287E+00119311 0.324E+00 0.544E+00
RMM: 5 -0.663794913169E+03 0.22573E+00 -0.58264E-01114216 0.176E+00 0.228E+00
RMM: 6 -0.663784351178E+03 0.10562E-01 -0.20231E-01115211 0.991E-01 0.722E-01
RMM: 7 -0.663785654439E+03 -0.13033E-02 -0.45080E-02122867 0.445E-01 0.306E-01
RMM: 8 -0.663785569286E+03 0.85153E-04 -0.94828E-03125291 0.197E-01 0.177E-01
RMM: 9 -0.663785507092E+03 0.62194E-04 -0.19308E-03116185 0.907E-02 0.726E-02
RMM: 10 -0.663785561889E+03 -0.54797E-04 -0.57382E-04123853 0.471E-02 0.274E-02
RMM: 11 -0.663785566693E+03 -0.48043E-05 -0.11945E-04116260 0.221E-02 0.127E-02
RMM: 12 -0.663785569967E+03 -0.32737E-05 -0.28882E-05 79397 0.108E-02
12 F= -.66378557E+03 E0= -.66376707E+03 d E =-.192549E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.665406011200E+03 -0.16204E+01 -0.45859E+02113880 0.522E+01 0.527E+00
RMM: 2 -0.666341522234E+03 -0.93551E+00 -0.12468E+01113880 0.777E+00 0.300E+00
RMM: 3 -0.666470226305E+03 -0.12870E+00 -0.16923E+00117535 0.282E+00 0.279E+00
RMM: 4 -0.666411627304E+03 0.58599E-01 -0.29934E-01118833 0.118E+00 0.177E+00
RMM: 5 -0.666393785430E+03 0.17842E-01 -0.83936E-02113952 0.659E-01 0.763E-01
RMM: 6 -0.666391432475E+03 0.23530E-02 -0.31276E-02115044 0.392E-01 0.231E-01
RMM: 7 -0.666391534180E+03 -0.10171E-03 -0.65331E-03121667 0.172E-01 0.105E-01
RMM: 8 -0.666391539265E+03 -0.50848E-05 -0.15785E-03121184 0.797E-02 0.620E-02
RMM: 9 -0.666391546469E+03 -0.72037E-05 -0.35774E-04120953 0.373E-02 0.211E-02
RMM: 10 -0.666391555089E+03 -0.86203E-05 -0.75604E-05103605 0.172E-02
13 F= -.66639156E+03 E0= -.66637373E+03 d E =-.453147E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.666785064136E+03 -0.39352E+00 -0.90941E+02113880 0.736E+01 0.933E+00
RMM: 2 -0.669030778500E+03 -0.22457E+01 -0.28819E+01113880 0.120E+01 0.430E+00
RMM: 3 -0.669219969192E+03 -0.18919E+00 -0.40742E+00117397 0.443E+00 0.302E+00
RMM: 4 -0.669222772211E+03 -0.28030E-02 -0.69748E-01118164 0.189E+00 0.230E+00
RMM: 5 -0.669182546813E+03 0.40225E-01 -0.16653E-01114562 0.910E-01 0.996E-01
RMM: 6 -0.669180181285E+03 0.23655E-02 -0.52132E-02116306 0.513E-01 0.300E-01
RMM: 7 -0.669181021623E+03 -0.84034E-03 -0.13904E-02126823 0.242E-01 0.123E-01
RMM: 8 -0.669181110119E+03 -0.88496E-04 -0.23561E-03126985 0.976E-02 0.676E-02
RMM: 9 -0.669181140234E+03 -0.30115E-04 -0.51217E-04115112 0.472E-02 0.199E-02
RMM: 10 -0.669181143298E+03 -0.30635E-05 -0.12234E-04108312 0.222E-02 0.104E-02
RMM: 11 -0.669181145944E+03 -0.26460E-05 -0.28606E-05 80317 0.106E-02
14 F= -.66918115E+03 E0= -.66917028E+03 d E =-.278959E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.669613682355E+03 -0.43254E+00 -0.74484E+01114390 0.211E+01 0.202E+00
RMM: 2 -0.669747955748E+03 -0.13427E+00 -0.18912E+00113880 0.310E+00 0.123E+00
RMM: 3 -0.669752806608E+03 -0.48509E-02 -0.24008E-01116319 0.112E+00 0.730E-01
RMM: 4 -0.669752133681E+03 0.67293E-03 -0.53386E-02118618 0.504E-01 0.354E-01
RMM: 5 -0.669752533906E+03 -0.40023E-03 -0.10372E-02120691 0.208E-01 0.241E-01
RMM: 6 -0.669752099967E+03 0.43394E-03 -0.20472E-03118087 0.985E-02 0.810E-02
RMM: 7 -0.669752139296E+03 -0.39329E-04 -0.55627E-04124659 0.477E-02 0.290E-02
RMM: 8 -0.669752143513E+03 -0.42168E-05 -0.10613E-04112569 0.206E-02 0.121E-02
RMM: 9 -0.669752144888E+03 -0.13753E-05 -0.21635E-05 75452 0.942E-03
15 F= -.66975214E+03 E0= -.66974060E+03 d E =-.336059E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.671158875181E+03 -0.14067E+01 -0.68122E+02113880 0.631E+01 0.675E+00
RMM: 2 -0.672747001364E+03 -0.15881E+01 -0.19708E+01113880 0.977E+00 0.347E+00
RMM: 3 -0.672911077499E+03 -0.16408E+00 -0.27442E+00117177 0.362E+00 0.244E+00
RMM: 4 -0.672912470511E+03 -0.13930E-02 -0.45615E-01118176 0.152E+00 0.156E+00
RMM: 5 -0.672901902344E+03 0.10568E-01 -0.10546E-01115323 0.718E-01 0.637E-01
RMM: 6 -0.672902270062E+03 -0.36772E-03 -0.30479E-02118686 0.378E-01 0.225E-01
RMM: 7 -0.672902648599E+03 -0.37854E-03 -0.75518E-03124736 0.177E-01 0.102E-01
RMM: 8 -0.672902682201E+03 -0.33602E-04 -0.13622E-03128359 0.737E-02 0.539E-02
RMM: 9 -0.672902698274E+03 -0.16073E-04 -0.32622E-04114674 0.369E-02 0.170E-02
RMM: 10 -0.672902699662E+03 -0.13887E-05 -0.68081E-05 97056 0.169E-02
16 F= -.67290270E+03 E0= -.67289362E+03 d E =-.315055E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.672904652096E+03 -0.19538E-02 -0.10233E+00131937 0.245E+00 0.231E-01
RMM: 2 -0.672906522040E+03 -0.18699E-02 -0.24084E-02113880 0.346E-01 0.128E-01
RMM: 3 -0.672906645305E+03 -0.12326E-03 -0.28710E-03116052 0.124E-01 0.725E-02
RMM: 4 -0.672906657037E+03 -0.11732E-04 -0.65103E-04118171 0.558E-02 0.301E-02
RMM: 5 -0.672906663614E+03 -0.65770E-05 -0.13432E-04119337 0.236E-02 0.165E-02
RMM: 6 -0.672906663745E+03 -0.13069E-06 -0.23849E-05 73953 0.107E-02
17 F= -.67290666E+03 E0= -.67289771E+03 d E =-.315452E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.674506802638E+03 -0.16001E+01 -0.55641E+02113880 0.571E+01 0.602E+00
RMM: 2 -0.675585682499E+03 -0.10789E+01 -0.14184E+01113880 0.842E+00 0.315E+00
RMM: 3 -0.675675364648E+03 -0.89682E-01 -0.18782E+00116421 0.310E+00 0.205E+00
RMM: 4 -0.675669054162E+03 0.63105E-02 -0.37131E-01117514 0.138E+00 0.905E-01
RMM: 5 -0.675673463232E+03 -0.44091E-02 -0.75967E-02121658 0.590E-01 0.354E-01
RMM: 6 -0.675674674614E+03 -0.12114E-02 -0.15277E-02123210 0.270E-01 0.174E-01
RMM: 7 -0.675674797794E+03 -0.12318E-03 -0.32079E-03127527 0.115E-01 0.825E-02
RMM: 8 -0.675674815222E+03 -0.17428E-04 -0.55875E-04120864 0.501E-02 0.307E-02
RMM: 9 -0.675674829562E+03 -0.14340E-04 -0.16050E-04116681 0.249E-02 0.136E-02
RMM: 10 -0.675674830287E+03 -0.72442E-06 -0.29812E-05 79305 0.110E-02
18 F= -.67567483E+03 E0= -.67566604E+03 d E =-.276817E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.675692016462E+03 -0.17187E-01 -0.75845E+00125484 0.669E+00 0.620E-01
RMM: 2 -0.675703608259E+03 -0.11592E-01 -0.16040E-01113880 0.905E-01 0.355E-01
RMM: 3 -0.675704217823E+03 -0.60956E-03 -0.19644E-02115833 0.328E-01 0.194E-01
RMM: 4 -0.675704302417E+03 -0.84594E-04 -0.47824E-03118354 0.151E-01 0.711E-02
RMM: 5 -0.675704365690E+03 -0.63273E-04 -0.92535E-04123464 0.627E-02 0.400E-02
RMM: 6 -0.675704371798E+03 -0.61081E-05 -0.17190E-04122028 0.279E-02 0.193E-02
RMM: 7 -0.675704374758E+03 -0.29603E-05 -0.31925E-05 82587 0.120E-02
19 F= -.67570437E+03 E0= -.67569604E+03 d E =-.279771E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.676882552369E+03 -0.11782E+01 -0.50390E+02113880 0.543E+01 0.579E+00
RMM: 2 -0.677839920348E+03 -0.95737E+00 -0.13107E+01113880 0.796E+00 0.312E+00
RMM: 3 -0.677903481201E+03 -0.63561E-01 -0.17241E+00116792 0.293E+00 0.199E+00
RMM: 4 -0.677890651275E+03 0.12830E-01 -0.32956E-01117024 0.130E+00 0.893E-01
RMM: 5 -0.677893048688E+03 -0.23974E-02 -0.67796E-02120298 0.556E-01 0.377E-01
RMM: 6 -0.677894115744E+03 -0.10671E-02 -0.14973E-02123125 0.263E-01 0.133E-01
RMM: 7 -0.677894327532E+03 -0.21179E-03 -0.29879E-03129599 0.111E-01 0.677E-02
RMM: 8 -0.677894359375E+03 -0.31843E-04 -0.50827E-04120716 0.457E-02 0.210E-02
RMM: 9 -0.677894368193E+03 -0.88181E-05 -0.10908E-04104223 0.199E-02 0.113E-02
RMM: 10 -0.677894368949E+03 -0.75534E-06 -0.16563E-05 72508 0.840E-03
20 F= -.67789437E+03 E0= -.67789711E+03 d E =-.218999E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.677900856082E+03 -0.64879E-02 -0.17904E+00125574 0.325E+00 0.311E-01
RMM: 2 -0.677903719002E+03 -0.28629E-02 -0.40454E-02113880 0.449E-01 0.185E-01
RMM: 3 -0.677903809370E+03 -0.90367E-04 -0.47386E-03115602 0.161E-01 0.111E-01
RMM: 4 -0.677903775360E+03 0.34009E-04 -0.11878E-03116409 0.761E-02 0.403E-02
RMM: 5 -0.677903787325E+03 -0.11965E-04 -0.23348E-04121896 0.313E-02 0.194E-02
RMM: 6 -0.677903789779E+03 -0.24543E-05 -0.41360E-05 86637 0.139E-02
21 F= -.67790379E+03 E0= -.67790622E+03 d E =-.219942E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.679198715469E+03 -0.12949E+01 -0.30012E+02113880 0.422E+01 0.434E+00
RMM: 2 -0.679661769737E+03 -0.46305E+00 -0.68749E+00113880 0.602E+00 0.239E+00
RMM: 3 -0.679673519186E+03 -0.11749E-01 -0.86941E-01115481 0.222E+00 0.136E+00
RMM: 4 -0.679673973778E+03 -0.45459E-03 -0.21451E-01117873 0.103E+00 0.570E-01
RMM: 5 -0.679676652214E+03 -0.26784E-02 -0.38429E-02122727 0.418E-01 0.242E-01
RMM: 6 -0.679677304328E+03 -0.65211E-03 -0.75809E-03123249 0.188E-01 0.654E-02
RMM: 7 -0.679677427962E+03 -0.12363E-03 -0.15442E-03131163 0.787E-02 0.355E-02
RMM: 8 -0.679677449691E+03 -0.21729E-04 -0.24245E-04117501 0.303E-02 0.126E-02
RMM: 9 -0.679677453600E+03 -0.39097E-05 -0.40553E-05 79339 0.118E-02
22 F= -.67967745E+03 E0= -.67969499E+03 d E =-.177366E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.679678707486E+03 -0.12578E-02 -0.25918E-01132486 0.125E+00 0.114E-01
RMM: 2 -0.679679100752E+03 -0.39327E-03 -0.56849E-03113880 0.173E-01 0.697E-02
RMM: 3 -0.679679106242E+03 -0.54909E-05 -0.69504E-04115037 0.632E-02 0.379E-02
RMM: 4 -0.679679108334E+03 -0.20918E-05 -0.17984E-04118171 0.295E-02 0.143E-02
RMM: 5 -0.679679110277E+03 -0.19429E-05 -0.28040E-05 77659 0.116E-02
23 F= -.67967911E+03 E0= -.67969705E+03 d E =-.177532E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.680768936316E+03 -0.10898E+01 -0.19584E+02113880 0.339E+01 0.341E+00
RMM: 2 -0.681048374364E+03 -0.27944E+00 -0.41372E+00113880 0.468E+00 0.200E+00
RMM: 3 -0.681043777710E+03 0.45967E-02 -0.50555E-01114080 0.174E+00 0.114E+00
RMM: 4 -0.681042424971E+03 0.13527E-02 -0.13367E-01116581 0.822E-01 0.458E-01
RMM: 5 -0.681044346997E+03 -0.19220E-02 -0.24693E-02122536 0.330E-01 0.189E-01
RMM: 6 -0.681044756747E+03 -0.40975E-03 -0.45233E-03121715 0.147E-01 0.455E-02
RMM: 7 -0.681044841896E+03 -0.85149E-04 -0.97509E-04130605 0.618E-02 0.252E-02
RMM: 8 -0.681044854245E+03 -0.12349E-04 -0.14083E-04106357 0.228E-02 0.111E-02
RMM: 9 -0.681044855768E+03 -0.15231E-05 -0.17746E-05 76075 0.821E-03
24 F= -.68104486E+03 E0= -.68104924E+03 d E =-.136575E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.681047054818E+03 -0.22006E-02 -0.43979E-01129957 0.160E+00 0.151E-01
RMM: 2 -0.681047637173E+03 -0.58235E-03 -0.88764E-03113880 0.217E-01 0.944E-02
RMM: 3 -0.681047620327E+03 0.16846E-04 -0.11040E-03113966 0.809E-02 0.466E-02
RMM: 4 -0.681047625335E+03 -0.50083E-05 -0.30070E-04117420 0.382E-02 0.157E-02
RMM: 5 -0.681047629353E+03 -0.40180E-05 -0.51255E-05 91215 0.151E-02
25 F= -.68104763E+03 E0= -.68105197E+03 d E =-.136852E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.681779626710E+03 -0.73200E+00 -0.16782E+02113880 0.312E+01 0.317E+00
RMM: 2 -0.682042830582E+03 -0.26320E+00 -0.37515E+00113880 0.445E+00 0.183E+00
RMM: 3 -0.682043876569E+03 -0.10460E-02 -0.45813E-01114992 0.163E+00 0.106E+00
RMM: 4 -0.682042710566E+03 0.11660E-02 -0.10807E-01117226 0.744E-01 0.427E-01
RMM: 5 -0.682044184870E+03 -0.14743E-02 -0.19337E-02120985 0.298E-01 0.166E-01
RMM: 6 -0.682044537607E+03 -0.35274E-03 -0.37442E-03124018 0.133E-01 0.459E-02
RMM: 7 -0.682044604018E+03 -0.66411E-04 -0.77050E-04127672 0.553E-02 0.221E-02
RMM: 8 -0.682044616108E+03 -0.12091E-04 -0.12702E-04101333 0.211E-02 0.103E-02
RMM: 9 -0.682044617692E+03 -0.15840E-05 -0.16946E-05 74442 0.797E-03
26 F= -.68204462E+03 E0= -.68204881E+03 d E =-.996988E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.682045661481E+03 -0.10454E-02 -0.27657E-01130497 0.127E+00 0.120E-01
RMM: 2 -0.682046074704E+03 -0.41322E-03 -0.59455E-03113880 0.176E-01 0.731E-02
RMM: 3 -0.682046075263E+03 -0.55900E-06 -0.73703E-04115081 0.650E-02 0.378E-02
RMM: 4 -0.682046076340E+03 -0.10768E-05 -0.17801E-04117530 0.297E-02 0.126E-02
RMM: 5 -0.682046078571E+03 -0.22308E-05 -0.28475E-05 78078 0.116E-02
27 F= -.68204608E+03 E0= -.68205027E+03 d E =-.998449E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.682796922130E+03 -0.75085E+00 -0.15888E+02113880 0.300E+01 0.313E+00
RMM: 2 -0.682990936796E+03 -0.19401E+00 -0.29845E+00113880 0.405E+00 0.168E+00
RMM: 3 -0.682992078470E+03 -0.11417E-02 -0.36513E-01114045 0.149E+00 0.933E-01
RMM: 4 -0.682993297045E+03 -0.12186E-02 -0.93163E-02116569 0.685E-01 0.382E-01
RMM: 5 -0.682994659959E+03 -0.13629E-02 -0.16608E-02120856 0.277E-01 0.160E-01
RMM: 6 -0.682994954643E+03 -0.29468E-03 -0.31343E-03122026 0.123E-01 0.388E-02
RMM: 7 -0.682995003209E+03 -0.48566E-04 -0.65924E-04125090 0.529E-02 0.232E-02
RMM: 8 -0.682995015056E+03 -0.11847E-04 -0.12950E-04107560 0.221E-02 0.104E-02
RMM: 9 -0.682995016028E+03 -0.97232E-06 -0.13990E-05 73617 0.767E-03
28 F= -.68299502E+03 E0= -.68299924E+03 d E =-.948937E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.683013414999E+03 -0.18400E-01 -0.57252E+00124215 0.571E+00 0.550E-01
RMM: 2 -0.683020231065E+03 -0.68161E-02 -0.10669E-01113880 0.760E-01 0.321E-01
RMM: 3 -0.683020192818E+03 0.38247E-04 -0.13112E-02113950 0.281E-01 0.161E-01
RMM: 4 -0.683020277193E+03 -0.84375E-04 -0.34049E-03116544 0.130E-01 0.550E-02
RMM: 5 -0.683020322190E+03 -0.44997E-04 -0.60026E-04121055 0.518E-02 0.265E-02
RMM: 6 -0.683020331608E+03 -0.94179E-05 -0.11265E-04112069 0.231E-02 0.737E-03
RMM: 7 -0.683020333172E+03 -0.15639E-05 -0.22999E-05 76483 0.102E-02
29 F= -.68302033E+03 E0= -.68302456E+03 d E =-.974255E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.683532156558E+03 -0.51182E+00 -0.15253E+02113880 0.296E+01 0.305E+00
RMM: 2 -0.683743014871E+03 -0.21086E+00 -0.31289E+00113880 0.408E+00 0.178E+00
RMM: 3 -0.683742396438E+03 0.61843E-03 -0.38204E-01113895 0.150E+00 0.107E+00
RMM: 4 -0.683740969649E+03 0.14268E-02 -0.10215E-01115896 0.710E-01 0.446E-01
RMM: 5 -0.683742436675E+03 -0.14670E-02 -0.20168E-02121962 0.293E-01 0.171E-01
RMM: 6 -0.683742721618E+03 -0.28494E-03 -0.34501E-03120691 0.130E-01 0.479E-02
RMM: 7 -0.683742791119E+03 -0.69501E-04 -0.77552E-04130280 0.551E-02 0.217E-02
RMM: 8 -0.683742799828E+03 -0.87091E-05 -0.10567E-04100999 0.204E-02 0.100E-02
RMM: 9 -0.683742801128E+03 -0.13001E-05 -0.15889E-05 74000 0.802E-03
30 F= -.68374280E+03 E0= -.68374707E+03 d E =-.722468E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.683744089708E+03 -0.12899E-02 -0.44188E-01129174 0.159E+00 0.152E-01
RMM: 2 -0.683744635038E+03 -0.54533E-03 -0.84386E-03113880 0.213E-01 0.939E-02
RMM: 3 -0.683744629229E+03 0.58088E-05 -0.10675E-03113893 0.790E-02 0.480E-02
RMM: 4 -0.683744634498E+03 -0.52690E-05 -0.29443E-04116167 0.377E-02 0.155E-02
RMM: 5 -0.683744638619E+03 -0.41201E-05 -0.55949E-05 94256 0.153E-02
31 F= -.68374464E+03 E0= -.68374891E+03 d E =-.724305E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.684086804870E+03 -0.34217E+00 -0.15825E+02113880 0.301E+01 0.315E+00
RMM: 2 -0.684316502538E+03 -0.22970E+00 -0.33439E+00113880 0.420E+00 0.173E+00
RMM: 3 -0.684320850320E+03 -0.43478E-02 -0.42128E-01114929 0.156E+00 0.952E-01
RMM: 4 -0.684321717791E+03 -0.86747E-03 -0.94517E-02116970 0.691E-01 0.354E-01
RMM: 5 -0.684323074950E+03 -0.13572E-02 -0.17031E-02120576 0.283E-01 0.148E-01
RMM: 6 -0.684323373132E+03 -0.29818E-03 -0.32879E-03123556 0.124E-01 0.522E-02
RMM: 7 -0.684323429683E+03 -0.56551E-04 -0.69826E-04126735 0.534E-02 0.217E-02
RMM: 8 -0.684323441030E+03 -0.11347E-04 -0.11722E-04101404 0.206E-02 0.875E-03
RMM: 9 -0.684323442451E+03 -0.14213E-05 -0.15670E-05 73602 0.803E-03
32 F= -.68432344E+03 E0= -.68432771E+03 d E =-.578804E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.684323631610E+03 -0.19058E-03 -0.87754E-02131772 0.709E-01 0.691E-02
RMM: 2 -0.684323750411E+03 -0.11880E-03 -0.17402E-03113880 0.956E-02 0.401E-02
RMM: 3 -0.684323751639E+03 -0.12279E-05 -0.21727E-04114691 0.354E-02 0.193E-02
RMM: 4 -0.684323753050E+03 -0.14117E-05 -0.50186E-05 96496 0.158E-02
33 F= -.68432375E+03 E0= -.68432803E+03 d E =-.579114E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.684706486382E+03 -0.38273E+00 -0.13654E+02113880 0.279E+01 0.292E+00
RMM: 2 -0.684880959463E+03 -0.17447E+00 -0.26667E+00113880 0.377E+00 0.161E+00
RMM: 3 -0.684882894159E+03 -0.19347E-02 -0.33742E-01114327 0.141E+00 0.837E-01
RMM: 4 -0.684884297805E+03 -0.14036E-02 -0.83720E-02116719 0.646E-01 0.295E-01
RMM: 5 -0.684885541547E+03 -0.12437E-02 -0.15263E-02121570 0.259E-01 0.133E-01
RMM: 6 -0.684885776004E+03 -0.23446E-03 -0.27969E-03123067 0.114E-01 0.423E-02
RMM: 7 -0.684885823472E+03 -0.47468E-04 -0.55884E-04126485 0.478E-02 0.199E-02
RMM: 8 -0.684885830818E+03 -0.73452E-05 -0.86330E-05 94634 0.181E-02
34 F= -.68488583E+03 E0= -.68489012E+03 d E =-.562078E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.684886130730E+03 -0.30726E-03 -0.10427E-01131919 0.775E-01 0.764E-02
RMM: 2 -0.684886263096E+03 -0.13237E-03 -0.20537E-03113880 0.104E-01 0.449E-02
RMM: 3 -0.684886262612E+03 0.48415E-06 -0.26207E-04114069 0.391E-02 0.216E-02
RMM: 4 -0.684886264429E+03 -0.18169E-05 -0.68014E-05105203 0.181E-02
35 F= -.68488626E+03 E0= -.68489056E+03 d E =-.562511E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.685237786742E+03 -0.35152E+00 -0.12382E+02113880 0.267E+01 0.273E+00
RMM: 2 -0.685413168848E+03 -0.17538E+00 -0.25454E+00113880 0.364E+00 0.161E+00
RMM: 3 -0.685415969477E+03 -0.28006E-02 -0.30422E-01113896 0.134E+00 0.913E-01
RMM: 4 -0.685416138833E+03 -0.16936E-03 -0.77927E-02115812 0.624E-01 0.325E-01
RMM: 5 -0.685417488931E+03 -0.13501E-02 -0.15884E-02123228 0.258E-01 0.138E-01
RMM: 6 -0.685417709941E+03 -0.22101E-03 -0.26737E-03123678 0.112E-01 0.478E-02
RMM: 7 -0.685417756616E+03 -0.46675E-04 -0.51391E-04128099 0.455E-02 0.164E-02
RMM: 8 -0.685417762336E+03 -0.57194E-05 -0.76748E-05 90633 0.172E-02
36 F= -.68541776E+03 E0= -.68542209E+03 d E =-.531498E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.685422102066E+03 -0.43454E-02 -0.21361E+00124242 0.350E+00 0.346E-01
RMM: 2 -0.685424842862E+03 -0.27408E-02 -0.41200E-02113880 0.466E-01 0.209E-01
RMM: 3 -0.685424866778E+03 -0.23917E-04 -0.50286E-03113880 0.172E-01 0.105E-01
RMM: 4 -0.685424897631E+03 -0.30852E-04 -0.13102E-03116042 0.800E-02 0.328E-02
RMM: 5 -0.685424919612E+03 -0.21981E-04 -0.26442E-04122546 0.329E-02 0.161E-02
RMM: 6 -0.685424923333E+03 -0.37213E-05 -0.43817E-05 89045 0.144E-02
37 F= -.68542492E+03 E0= -.68542925E+03 d E =-.538659E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.685790279076E+03 -0.36536E+00 -0.99989E+01113880 0.238E+01 0.243E+00
RMM: 2 -0.685924352131E+03 -0.13407E+00 -0.19498E+00113880 0.320E+00 0.134E+00
RMM: 3 -0.685930765357E+03 -0.64132E-02 -0.24516E-01114498 0.120E+00 0.708E-01
RMM: 4 -0.685932737763E+03 -0.19724E-02 -0.57129E-02117208 0.532E-01 0.247E-01
RMM: 5 -0.685933660945E+03 -0.92318E-03 -0.10493E-02122121 0.219E-01 0.106E-01
RMM: 6 -0.685933827253E+03 -0.16631E-03 -0.18680E-03122804 0.943E-02 0.312E-02
RMM: 7 -0.685933860993E+03 -0.33739E-04 -0.40551E-04127790 0.406E-02 0.162E-02
RMM: 8 -0.685933865669E+03 -0.46763E-05 -0.53497E-05 86281 0.145E-02
38 F= -.68593387E+03 E0= -.68593824E+03 d E =-.508942E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.685960442596E+03 -0.26582E-01 -0.24380E+01113904 0.118E+01 0.117E+00
RMM: 2 -0.685992275307E+03 -0.31833E-01 -0.46341E-01113880 0.156E+00 0.656E-01
RMM: 3 -0.685993714165E+03 -0.14389E-02 -0.58114E-02114455 0.582E-01 0.329E-01
RMM: 4 -0.685994272024E+03 -0.55786E-03 -0.13663E-02117203 0.259E-01 0.110E-01
RMM: 5 -0.685994483360E+03 -0.21134E-03 -0.24845E-03122422 0.106E-01 0.504E-02
RMM: 6 -0.685994521258E+03 -0.37898E-04 -0.42982E-04120622 0.453E-02 0.140E-02
RMM: 7 -0.685994528695E+03 -0.74368E-05 -0.94771E-05106968 0.199E-02
39 F= -.68599453E+03 E0= -.68599894E+03 d E =-.569605E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.686412483663E+03 -0.41796E+00 -0.98085E+01113880 0.235E+01 0.235E+00
RMM: 2 -0.686537439677E+03 -0.12496E+00 -0.17645E+00113880 0.305E+00 0.128E+00
RMM: 3 -0.686543426740E+03 -0.59871E-02 -0.21695E-01114301 0.113E+00 0.627E-01
RMM: 4 -0.686545525321E+03 -0.20986E-02 -0.50964E-02115941 0.505E-01 0.192E-01
RMM: 5 -0.686546463777E+03 -0.93846E-03 -0.10477E-02124337 0.211E-01 0.103E-01
RMM: 6 -0.686546590085E+03 -0.12631E-03 -0.15498E-03120158 0.876E-02 0.270E-02
RMM: 7 -0.686546622287E+03 -0.32202E-04 -0.38159E-04128023 0.393E-02 0.179E-02
RMM: 8 -0.686546626074E+03 -0.37865E-05 -0.46398E-05 86497 0.136E-02
40 F= -.68654663E+03 E0= -.68655122E+03 d E =-.552097E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.686604566443E+03 -0.57944E-01 -0.10495E+02113880 0.244E+01 0.244E+00
RMM: 2 -0.686739068576E+03 -0.13450E+00 -0.19064E+00113880 0.317E+00 0.134E+00
RMM: 3 -0.686744908791E+03 -0.58402E-02 -0.23518E-01114235 0.118E+00 0.655E-01
RMM: 4 -0.686747119902E+03 -0.22111E-02 -0.55818E-02116077 0.527E-01 0.205E-01
RMM: 5 -0.686748108527E+03 -0.98862E-03 -0.11251E-02124089 0.220E-01 0.110E-01
RMM: 6 -0.686748244729E+03 -0.13620E-03 -0.17004E-03119942 0.916E-02 0.286E-02
RMM: 7 -0.686748278593E+03 -0.33864E-04 -0.41780E-04127093 0.415E-02 0.194E-02
RMM: 8 -0.686748283563E+03 -0.49700E-05 -0.58902E-05 89760 0.150E-02
41 F= -.68674828E+03 E0= -.68675353E+03 d E =-.753755E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.687142560761E+03 -0.39428E+00 -0.77852E+01113880 0.210E+01 0.207E+00
RMM: 2 -0.687237653162E+03 -0.95092E-01 -0.13765E+00113880 0.270E+00 0.118E+00
RMM: 3 -0.687241253142E+03 -0.36000E-02 -0.16752E-01113880 0.100E+00 0.583E-01
RMM: 4 -0.687242949273E+03 -0.16961E-02 -0.41188E-02115662 0.452E-01 0.187E-01
RMM: 5 -0.687243762149E+03 -0.81288E-03 -0.88585E-03124467 0.191E-01 0.975E-02
RMM: 6 -0.687243871314E+03 -0.10916E-03 -0.13097E-03121341 0.802E-02 0.266E-02
RMM: 7 -0.687243897537E+03 -0.26223E-04 -0.29115E-04128535 0.337E-02 0.130E-02
RMM: 8 -0.687243899942E+03 -0.24052E-05 -0.30861E-05 83333 0.112E-02
42 F= -.68724390E+03 E0= -.68724915E+03 d E =-.495616E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.687254240646E+03 -0.10343E-01 -0.20661E+02113880 0.342E+01 0.348E+00
RMM: 2 -0.687519592004E+03 -0.26535E+00 -0.37828E+00113880 0.448E+00 0.193E+00
RMM: 3 -0.687531133043E+03 -0.11541E-01 -0.46164E-01113882 0.166E+00 0.102E+00
RMM: 4 -0.687534814035E+03 -0.36810E-02 -0.11252E-01115655 0.751E-01 0.354E-01
RMM: 5 -0.687537086041E+03 -0.22720E-02 -0.24169E-02124329 0.318E-01 0.170E-01
RMM: 6 -0.687537392388E+03 -0.30635E-03 -0.35640E-03121346 0.133E-01 0.456E-02
RMM: 7 -0.687537464199E+03 -0.71811E-04 -0.79373E-04131640 0.564E-02 0.216E-02
RMM: 8 -0.687537471861E+03 -0.76622E-05 -0.94871E-05 96133 0.190E-02
43 F= -.68753747E+03 E0= -.68754272E+03 d E =-.789188E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.687868803184E+03 -0.33134E+00 -0.95994E+01113886 0.233E+01 0.235E+00
RMM: 2 -0.687986479498E+03 -0.11768E+00 -0.17190E+00113880 0.303E+00 0.129E+00
RMM: 3 -0.687992482815E+03 -0.60033E-02 -0.21283E-01113964 0.113E+00 0.648E-01
RMM: 4 -0.687994797872E+03 -0.23151E-02 -0.52252E-02116665 0.504E-01 0.218E-01
RMM: 5 -0.687995703872E+03 -0.90600E-03 -0.10111E-02122937 0.208E-01 0.109E-01
RMM: 6 -0.687995841819E+03 -0.13795E-03 -0.16183E-03120906 0.885E-02 0.251E-02
RMM: 7 -0.687995873020E+03 -0.31201E-04 -0.38195E-04126818 0.391E-02 0.163E-02
RMM: 8 -0.687995877288E+03 -0.42674E-05 -0.52085E-05 88663 0.144E-02
44 F= -.68799588E+03 E0= -.68800088E+03 d E =-.458405E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.688006050060E+03 -0.10177E-01 -0.13881E+02113880 0.280E+01 0.285E+00
RMM: 2 -0.688180794648E+03 -0.17474E+00 -0.25269E+00113880 0.367E+00 0.154E+00
RMM: 3 -0.688190837772E+03 -0.10043E-01 -0.31235E-01113934 0.137E+00 0.801E-01
RMM: 4 -0.688194044697E+03 -0.32069E-02 -0.76256E-02116580 0.610E-01 0.275E-01
RMM: 5 -0.688195400646E+03 -0.13559E-02 -0.14935E-02123021 0.253E-01 0.135E-01
RMM: 6 -0.688195601204E+03 -0.20056E-03 -0.23599E-03120750 0.107E-01 0.314E-02
RMM: 7 -0.688195647566E+03 -0.46362E-04 -0.55124E-04129465 0.472E-02 0.192E-02
RMM: 8 -0.688195653750E+03 -0.61840E-05 -0.76100E-05 92612 0.172E-02
45 F= -.68819565E+03 E0= -.68820046E+03 d E =-.658182E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.688545623864E+03 -0.34998E+00 -0.63960E+01114378 0.190E+01 0.191E+00
RMM: 2 -0.688624549810E+03 -0.78926E-01 -0.11549E+00113880 0.247E+00 0.107E+00
RMM: 3 -0.688626757941E+03 -0.22081E-02 -0.14377E-01113966 0.923E-01 0.504E-01
RMM: 4 -0.688628241947E+03 -0.14840E-02 -0.35455E-02116494 0.414E-01 0.171E-01
RMM: 5 -0.688628792866E+03 -0.55092E-03 -0.65793E-03121741 0.168E-01 0.839E-02
RMM: 6 -0.688628885959E+03 -0.93093E-04 -0.11418E-03120595 0.737E-02 0.222E-02
RMM: 7 -0.688628907871E+03 -0.21912E-04 -0.25827E-04127151 0.323E-02 0.133E-02
RMM: 8 -0.688628910644E+03 -0.27726E-05 -0.33394E-05 85079 0.117E-02
46 F= -.68862891E+03 E0= -.68863503E+03 d E =-.433257E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.688687607017E+03 -0.58699E-01 -0.43331E+01115386 0.157E+01 0.156E+00
RMM: 2 -0.688741256392E+03 -0.53649E-01 -0.78860E-01113880 0.205E+00 0.886E-01
RMM: 3 -0.688742396678E+03 -0.11403E-02 -0.98350E-02113945 0.764E-01 0.411E-01
RMM: 4 -0.688743420541E+03 -0.10239E-02 -0.24438E-02116495 0.343E-01 0.137E-01
RMM: 5 -0.688743791250E+03 -0.37071E-03 -0.45524E-03121614 0.140E-01 0.687E-02
RMM: 6 -0.688743853933E+03 -0.62683E-04 -0.79212E-04120284 0.613E-02 0.183E-02
RMM: 7 -0.688743869166E+03 -0.15233E-04 -0.18233E-04124320 0.272E-02 0.113E-02
RMM: 8 -0.688743871058E+03 -0.18919E-05 -0.23697E-05 78426 0.997E-03
47 F= -.68874387E+03 E0= -.68875175E+03 d E =-.548217E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.689072599024E+03 -0.32873E+00 -0.45727E+01113892 0.161E+01 0.160E+00
RMM: 2 -0.689120809619E+03 -0.48211E-01 -0.74941E-01113880 0.201E+00 0.924E-01
RMM: 3 -0.689121957582E+03 -0.11480E-02 -0.95758E-02113880 0.756E-01 0.422E-01
RMM: 4 -0.689123171612E+03 -0.12140E-02 -0.23142E-02115690 0.339E-01 0.139E-01
RMM: 5 -0.689123562444E+03 -0.39083E-03 -0.47965E-03122835 0.142E-01 0.709E-02
RMM: 6 -0.689123624395E+03 -0.61951E-04 -0.76664E-04119909 0.607E-02 0.206E-02
RMM: 7 -0.689123638497E+03 -0.14103E-04 -0.17305E-04123706 0.266E-02 0.113E-02
RMM: 8 -0.689123640280E+03 -0.17822E-05 -0.22629E-05 77267 0.974E-03
48 F= -.68912364E+03 E0= -.68913209E+03 d E =-.379769E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.689212493291E+03 -0.88855E-01 -0.12843E+02113880 0.270E+01 0.273E+00
RMM: 2 -0.689352219137E+03 -0.13973E+00 -0.21444E+00113880 0.341E+00 0.155E+00
RMM: 3 -0.689355726080E+03 -0.35069E-02 -0.27249E-01113881 0.128E+00 0.737E-01
RMM: 4 -0.689358820306E+03 -0.30942E-02 -0.65640E-02115696 0.573E-01 0.251E-01
RMM: 5 -0.689359956323E+03 -0.11360E-02 -0.13487E-02122747 0.239E-01 0.122E-01
RMM: 6 -0.689360138901E+03 -0.18258E-03 -0.21634E-03120232 0.102E-01 0.354E-02
RMM: 7 -0.689360177867E+03 -0.38966E-04 -0.48273E-04129486 0.446E-02 0.184E-02
RMM: 8 -0.689360183568E+03 -0.57013E-05 -0.67626E-05 92706 0.165E-02
49 F= -.68936018E+03 E0= -.68936910E+03 d E =-.616313E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.689619538234E+03 -0.25936E+00 -0.33115E+01115308 0.137E+01 0.139E+00
RMM: 2 -0.689655977669E+03 -0.36439E-01 -0.56241E-01113880 0.174E+00 0.803E-01
RMM: 3 -0.689656368729E+03 -0.39106E-03 -0.72769E-02113895 0.657E-01 0.361E-01
RMM: 4 -0.689657263432E+03 -0.89470E-03 -0.17748E-02116855 0.294E-01 0.123E-01
RMM: 5 -0.689657520356E+03 -0.25692E-03 -0.32746E-03121807 0.120E-01 0.604E-02
RMM: 6 -0.689657569696E+03 -0.49340E-04 -0.57143E-04120017 0.520E-02 0.165E-02
RMM: 7 -0.689657579224E+03 -0.95277E-05 -0.13303E-04118178 0.234E-02 0.106E-02
RMM: 8 -0.689657580936E+03 -0.17123E-05 -0.21078E-05 75963 0.942E-03
50 F= -.68965758E+03 E0= -.68966651E+03 d E =-.297397E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.689731897593E+03 -0.74318E-01 -0.91260E+01113880 0.228E+01 0.233E+00
RMM: 2 -0.689835482344E+03 -0.10358E+00 -0.15704E+00113880 0.290E+00 0.132E+00
RMM: 3 -0.689837696442E+03 -0.22141E-02 -0.20089E-01113891 0.109E+00 0.628E-01
RMM: 4 -0.689839874319E+03 -0.21779E-02 -0.48635E-02116494 0.490E-01 0.215E-01
RMM: 5 -0.689840639569E+03 -0.76525E-03 -0.92175E-03122188 0.201E-01 0.103E-01
RMM: 6 -0.689840773532E+03 -0.13396E-03 -0.15429E-03120097 0.863E-02 0.267E-02
RMM: 7 -0.689840799224E+03 -0.25692E-04 -0.36049E-04125970 0.389E-02 0.176E-02
RMM: 8 -0.689840804021E+03 -0.47972E-05 -0.59327E-05 91958 0.155E-02
51 F= -.68984080E+03 E0= -.68984981E+03 d E =-.480620E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.690097608928E+03 -0.25681E+00 -0.26264E+01114888 0.123E+01 0.125E+00
RMM: 2 -0.690124941596E+03 -0.27333E-01 -0.44199E-01113880 0.156E+00 0.730E-01
RMM: 3 -0.690124636010E+03 0.30559E-03 -0.59351E-02113880 0.599E-01 0.317E-01
RMM: 4 -0.690125335625E+03 -0.69962E-03 -0.14020E-02116480 0.267E-01 0.116E-01
RMM: 5 -0.690125543877E+03 -0.20825E-03 -0.26942E-03121549 0.109E-01 0.542E-02
RMM: 6 -0.690125583980E+03 -0.40103E-04 -0.48290E-04119707 0.480E-02 0.153E-02
RMM: 7 -0.690125592819E+03 -0.88395E-05 -0.10728E-04110796 0.211E-02 0.815E-03
RMM: 8 -0.690125594110E+03 -0.12908E-05 -0.15399E-05 72864 0.829E-03
52 F= -.69012559E+03 E0= -.69013499E+03 d E =-.284790E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.690207629597E+03 -0.82037E-01 -0.42913E+01113880 0.157E+01 0.160E+00
RMM: 2 -0.690252847996E+03 -0.45218E-01 -0.72574E-01113880 0.200E+00 0.937E-01
RMM: 3 -0.690252226161E+03 0.62183E-03 -0.96847E-02113880 0.766E-01 0.411E-01
RMM: 4 -0.690253320651E+03 -0.10945E-02 -0.22942E-02116387 0.342E-01 0.152E-01
RMM: 5 -0.690253658617E+03 -0.33797E-03 -0.44053E-03121450 0.140E-01 0.710E-02
RMM: 6 -0.690253724015E+03 -0.65398E-04 -0.79074E-04120457 0.616E-02 0.198E-02
RMM: 7 -0.690253738534E+03 -0.14519E-04 -0.17748E-04123077 0.270E-02 0.108E-02
RMM: 8 -0.690253740751E+03 -0.22167E-05 -0.26331E-05 80069 0.104E-02
53 F= -.69025374E+03 E0= -.69026317E+03 d E =-.412937E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.690467797719E+03 -0.21406E+00 -0.22825E+01114336 0.115E+01 0.115E+00
RMM: 2 -0.690492273898E+03 -0.24476E-01 -0.38685E-01113880 0.146E+00 0.689E-01
RMM: 3 -0.690492186728E+03 0.87170E-04 -0.52026E-02113880 0.557E-01 0.301E-01
RMM: 4 -0.690492816557E+03 -0.62983E-03 -0.12650E-02117582 0.250E-01 0.106E-01
RMM: 5 -0.690492987236E+03 -0.17068E-03 -0.22505E-03120692 0.101E-01 0.500E-02
RMM: 6 -0.690493022935E+03 -0.35700E-04 -0.43056E-04120445 0.452E-02 0.143E-02
RMM: 7 -0.690493030885E+03 -0.79501E-05 -0.91796E-05106188 0.195E-02
54 F= -.69049303E+03 E0= -.69050249E+03 d E =-.239290E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.690563866805E+03 -0.70844E-01 -0.40083E+01113880 0.152E+01 0.153E+00
RMM: 2 -0.690606649968E+03 -0.42783E-01 -0.67837E-01113880 0.194E+00 0.914E-01
RMM: 3 -0.690606472298E+03 0.17767E-03 -0.91566E-02113880 0.739E-01 0.397E-01
RMM: 4 -0.690607602677E+03 -0.11304E-02 -0.22166E-02117630 0.332E-01 0.141E-01
RMM: 5 -0.690607903266E+03 -0.30059E-03 -0.39226E-03120567 0.134E-01 0.661E-02
RMM: 6 -0.690607967421E+03 -0.64155E-04 -0.75821E-04121456 0.600E-02 0.188E-02
RMM: 7 -0.690607981862E+03 -0.14441E-04 -0.16509E-04119722 0.258E-02 0.921E-03
RMM: 8 -0.690607983713E+03 -0.18516E-05 -0.20934E-05 77640 0.931E-03
55 F= -.69060798E+03 E0= -.69061750E+03 d E =-.354243E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.690811533724E+03 -0.20355E+00 -0.22958E+01114192 0.115E+01 0.114E+00
RMM: 2 -0.690836417180E+03 -0.24883E-01 -0.38572E-01113880 0.145E+00 0.688E-01
RMM: 3 -0.690836079629E+03 0.33755E-03 -0.52002E-02113887 0.555E-01 0.290E-01
RMM: 4 -0.690836766017E+03 -0.68639E-03 -0.12404E-02118023 0.245E-01 0.105E-01
RMM: 5 -0.690836918964E+03 -0.15295E-03 -0.20638E-03120026 0.996E-02 0.486E-02
RMM: 6 -0.690836956088E+03 -0.37124E-04 -0.41493E-04121385 0.442E-02 0.147E-02
RMM: 7 -0.690836962596E+03 -0.65085E-05 -0.83207E-05103722 0.193E-02
56 F= -.69083696E+03 E0= -.69084649E+03 d E =-.228979E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.690901280060E+03 -0.64324E-01 -0.41652E+01113880 0.155E+01 0.153E+00
RMM: 2 -0.690946926205E+03 -0.45646E-01 -0.70094E-01113880 0.195E+00 0.915E-01
RMM: 3 -0.690946821082E+03 0.10512E-03 -0.93882E-02113903 0.746E-01 0.402E-01
RMM: 4 -0.690947994924E+03 -0.11738E-02 -0.22383E-02117742 0.330E-01 0.144E-01
RMM: 5 -0.690948291378E+03 -0.29645E-03 -0.37923E-03120445 0.134E-01 0.683E-02
RMM: 6 -0.690948357265E+03 -0.65887E-04 -0.73712E-04121337 0.594E-02 0.186E-02
RMM: 7 -0.690948369124E+03 -0.11858E-04 -0.15809E-04119838 0.264E-02 0.113E-02
RMM: 8 -0.690948371648E+03 -0.25244E-05 -0.28366E-05 81273 0.108E-02
57 F= -.69094837E+03 E0= -.69095794E+03 d E =-.340388E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691154538072E+03 -0.20617E+00 -0.27651E+01114042 0.126E+01 0.124E+00
RMM: 2 -0.691181496033E+03 -0.26958E-01 -0.44505E-01113880 0.157E+00 0.738E-01
RMM: 3 -0.691181213800E+03 0.28223E-03 -0.63191E-02113891 0.609E-01 0.304E-01
RMM: 4 -0.691182120574E+03 -0.90677E-03 -0.15364E-02118911 0.270E-01 0.112E-01
RMM: 5 -0.691182294626E+03 -0.17405E-03 -0.24004E-03118987 0.108E-01 0.517E-02
RMM: 6 -0.691182340839E+03 -0.46212E-04 -0.53905E-04122938 0.493E-02 0.177E-02
RMM: 7 -0.691182349363E+03 -0.85239E-05 -0.10160E-04107234 0.204E-02 0.754E-03
RMM: 8 -0.691182350630E+03 -0.12673E-05 -0.14382E-05 72174 0.798E-03
58 F= -.69118235E+03 E0= -.69119176E+03 d E =-.233979E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691226236348E+03 -0.43887E-01 -0.22571E+01114660 0.114E+01 0.111E+00
RMM: 2 -0.691248264465E+03 -0.22028E-01 -0.36401E-01113880 0.142E+00 0.668E-01
RMM: 3 -0.691247992132E+03 0.27233E-03 -0.51808E-02113893 0.552E-01 0.274E-01
RMM: 4 -0.691248743877E+03 -0.75174E-03 -0.12637E-02118978 0.245E-01 0.100E-01
RMM: 5 -0.691248883984E+03 -0.14011E-03 -0.19704E-03118931 0.983E-02 0.461E-02
RMM: 6 -0.691248921882E+03 -0.37898E-04 -0.44502E-04123308 0.447E-02 0.163E-02
RMM: 7 -0.691248928644E+03 -0.67622E-05 -0.80999E-05102995 0.184E-02
59 F= -.69124893E+03 E0= -.69125810E+03 d E =-.300557E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691418118288E+03 -0.16920E+00 -0.26045E+01113892 0.122E+01 0.121E+00
RMM: 2 -0.691444737320E+03 -0.26619E-01 -0.42985E-01113880 0.153E+00 0.737E-01
RMM: 3 -0.691444162763E+03 0.57456E-03 -0.58069E-02113880 0.581E-01 0.317E-01
RMM: 4 -0.691444852983E+03 -0.69022E-03 -0.14280E-02117597 0.261E-01 0.115E-01
RMM: 5 -0.691445048505E+03 -0.19552E-03 -0.25698E-03120843 0.106E-01 0.551E-02
RMM: 6 -0.691445086577E+03 -0.38072E-04 -0.47620E-04120422 0.472E-02 0.152E-02
RMM: 7 -0.691445095235E+03 -0.86575E-05 -0.99275E-05108297 0.201E-02
60 F= -.69144510E+03 E0= -.69145425E+03 d E =-.196167E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691475424596E+03 -0.30338E-01 -0.15419E+01114912 0.941E+00 0.929E-01
RMM: 2 -0.691490959572E+03 -0.15535E-01 -0.25253E-01113880 0.117E+00 0.566E-01
RMM: 3 -0.691490619164E+03 0.34041E-03 -0.34381E-02113880 0.447E-01 0.238E-01
RMM: 4 -0.691491063358E+03 -0.44419E-03 -0.84800E-03117959 0.201E-01 0.862E-02
RMM: 5 -0.691491175244E+03 -0.11189E-03 -0.14876E-03120601 0.811E-02 0.414E-02
RMM: 6 -0.691491198253E+03 -0.23010E-04 -0.28333E-04120503 0.362E-02 0.119E-02
RMM: 7 -0.691491203123E+03 -0.48696E-05 -0.56062E-05 91807 0.154E-02
61 F= -.69149120E+03 E0= -.69150035E+03 d E =-.242274E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691632808945E+03 -0.14161E+00 -0.36687E+01113880 0.145E+01 0.145E+00
RMM: 2 -0.691678724203E+03 -0.45915E-01 -0.68100E-01113880 0.189E+00 0.884E-01
RMM: 3 -0.691678492848E+03 0.23135E-03 -0.86154E-02113890 0.708E-01 0.435E-01
RMM: 4 -0.691679055527E+03 -0.56268E-03 -0.21028E-02116860 0.320E-01 0.154E-01
RMM: 5 -0.691679371575E+03 -0.31605E-03 -0.39218E-03121869 0.130E-01 0.699E-02
RMM: 6 -0.691679427690E+03 -0.56115E-04 -0.68028E-04120269 0.567E-02 0.170E-02
RMM: 7 -0.691679440033E+03 -0.12344E-04 -0.15140E-04118580 0.248E-02 0.993E-03
RMM: 8 -0.691679441918E+03 -0.18850E-05 -0.21585E-05 77000 0.944E-03
62 F= -.69167944E+03 E0= -.69168889E+03 d E =-.188239E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691686432788E+03 -0.69928E-02 -0.40481E+00120138 0.483E+00 0.477E-01
RMM: 2 -0.691691347806E+03 -0.49150E-02 -0.73259E-02113880 0.622E-01 0.289E-01
RMM: 3 -0.691691350018E+03 -0.22113E-05 -0.93784E-03113889 0.233E-01 0.138E-01
RMM: 4 -0.691691429326E+03 -0.79309E-04 -0.23101E-03117211 0.105E-01 0.473E-02
RMM: 5 -0.691691463393E+03 -0.34066E-04 -0.42124E-04121671 0.424E-02 0.226E-02
RMM: 6 -0.691691469459E+03 -0.60658E-05 -0.72591E-05105019 0.186E-02
63 F= -.69169147E+03 E0= -.69170099E+03 d E =-.200266E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691858363576E+03 -0.16690E+00 -0.41566E+01113880 0.154E+01 0.151E+00
RMM: 2 -0.691903864374E+03 -0.45501E-01 -0.69010E-01113880 0.192E+00 0.886E-01
RMM: 3 -0.691904201493E+03 -0.33712E-03 -0.89449E-02113899 0.724E-01 0.381E-01
RMM: 4 -0.691905361469E+03 -0.11600E-02 -0.21472E-02117003 0.322E-01 0.124E-01
RMM: 5 -0.691905667674E+03 -0.30620E-03 -0.39186E-03121106 0.131E-01 0.595E-02
RMM: 6 -0.691905729094E+03 -0.61420E-04 -0.71857E-04121383 0.572E-02 0.200E-02
RMM: 7 -0.691905740275E+03 -0.11181E-04 -0.13760E-04115526 0.244E-02 0.945E-03
RMM: 8 -0.691905742620E+03 -0.23450E-05 -0.25992E-05 79296 0.103E-02
64 F= -.69190574E+03 E0= -.69191523E+03 d E =-.214273E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.691927441962E+03 -0.21702E-01 -0.18115E+01114048 0.102E+01 0.997E-01
RMM: 2 -0.691947051602E+03 -0.19610E-01 -0.30000E-01113880 0.127E+00 0.587E-01
RMM: 3 -0.691947112810E+03 -0.61208E-04 -0.39064E-02113896 0.479E-01 0.248E-01
RMM: 4 -0.691947638539E+03 -0.52573E-03 -0.94042E-03117222 0.213E-01 0.815E-02
RMM: 5 -0.691947765386E+03 -0.12685E-03 -0.16785E-03120836 0.868E-02 0.387E-02
RMM: 6 -0.691947792233E+03 -0.26847E-04 -0.31653E-04121245 0.379E-02 0.132E-02
RMM: 7 -0.691947796846E+03 -0.46133E-05 -0.57245E-05 94090 0.161E-02
65 F= -.69194780E+03 E0= -.69195725E+03 d E =-.256327E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692099011834E+03 -0.15122E+00 -0.38188E+01113880 0.148E+01 0.143E+00
RMM: 2 -0.692143188277E+03 -0.44176E-01 -0.64736E-01113880 0.185E+00 0.874E-01
RMM: 3 -0.692143065657E+03 0.12262E-03 -0.82071E-02113884 0.688E-01 0.392E-01
RMM: 4 -0.692143947720E+03 -0.88206E-03 -0.20179E-02116904 0.310E-01 0.131E-01
RMM: 5 -0.692144251573E+03 -0.30385E-03 -0.38177E-03121719 0.127E-01 0.668E-02
RMM: 6 -0.692144304977E+03 -0.53405E-04 -0.66316E-04120448 0.554E-02 0.194E-02
RMM: 7 -0.692144316529E+03 -0.11551E-04 -0.13555E-04114500 0.237E-02 0.104E-02
RMM: 8 -0.692144318350E+03 -0.18209E-05 -0.20289E-05 76071 0.941E-03
66 F= -.69214432E+03 E0= -.69215402E+03 d E =-.196522E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692161648837E+03 -0.17332E-01 -0.15294E+01115050 0.936E+00 0.905E-01
RMM: 2 -0.692178907058E+03 -0.17258E-01 -0.25575E-01113880 0.116E+00 0.552E-01
RMM: 3 -0.692178855381E+03 0.51677E-04 -0.32708E-02113881 0.434E-01 0.236E-01
RMM: 4 -0.692179266066E+03 -0.41068E-03 -0.80576E-03117284 0.195E-01 0.782E-02
RMM: 5 -0.692179382584E+03 -0.11652E-03 -0.14862E-03121550 0.794E-02 0.407E-02
RMM: 6 -0.692179404097E+03 -0.21513E-04 -0.26518E-04119883 0.348E-02 0.123E-02
RMM: 7 -0.692179408430E+03 -0.43329E-05 -0.51188E-05 90419 0.149E-02
67 F= -.69217941E+03 E0= -.69218928E+03 d E =-.231612E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692299999598E+03 -0.12060E+00 -0.40822E+01113880 0.153E+01 0.151E+00
RMM: 2 -0.692346254343E+03 -0.46255E-01 -0.70131E-01113880 0.193E+00 0.918E-01
RMM: 3 -0.692345934269E+03 0.32007E-03 -0.92070E-02113880 0.728E-01 0.422E-01
RMM: 4 -0.692347021463E+03 -0.10872E-02 -0.22048E-02117452 0.326E-01 0.165E-01
RMM: 5 -0.692347327889E+03 -0.30643E-03 -0.39592E-03120691 0.133E-01 0.744E-02
RMM: 6 -0.692347396906E+03 -0.69017E-04 -0.79837E-04121601 0.601E-02 0.204E-02
RMM: 7 -0.692347408766E+03 -0.11860E-04 -0.15657E-04119541 0.252E-02 0.117E-02
RMM: 8 -0.692347410869E+03 -0.21027E-05 -0.24534E-05 78602 0.101E-02
68 F= -.69234741E+03 E0= -.69235767E+03 d E =-.168002E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692352559099E+03 -0.51503E-02 -0.37958E+00120462 0.466E+00 0.452E-01
RMM: 2 -0.692356785811E+03 -0.42267E-02 -0.64242E-02113880 0.583E-01 0.277E-01
RMM: 3 -0.692356773337E+03 0.12475E-04 -0.84937E-03113880 0.221E-01 0.122E-01
RMM: 4 -0.692356886980E+03 -0.11364E-03 -0.20483E-03117667 0.987E-02 0.463E-02
RMM: 5 -0.692356914921E+03 -0.27941E-04 -0.36743E-04120519 0.402E-02 0.220E-02
RMM: 6 -0.692356921112E+03 -0.61906E-05 -0.71532E-05105633 0.181E-02
69 F= -.69235692E+03 E0= -.69236727E+03 d E =-.177513E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692469870653E+03 -0.11296E+00 -0.33639E+01113880 0.139E+01 0.136E+00
RMM: 2 -0.692507012840E+03 -0.37142E-01 -0.57116E-01113880 0.175E+00 0.813E-01
RMM: 3 -0.692506876514E+03 0.13633E-03 -0.74447E-02113882 0.660E-01 0.354E-01
RMM: 4 -0.692507776318E+03 -0.89980E-03 -0.17969E-02117459 0.296E-01 0.125E-01
RMM: 5 -0.692508019252E+03 -0.24293E-03 -0.31399E-03120277 0.118E-01 0.598E-02
RMM: 6 -0.692508071073E+03 -0.51821E-04 -0.61871E-04120184 0.534E-02 0.170E-02
RMM: 7 -0.692508081871E+03 -0.10798E-04 -0.12572E-04114568 0.224E-02 0.841E-03
RMM: 8 -0.692508083482E+03 -0.16110E-05 -0.17780E-05 74452 0.879E-03
70 F= -.69250808E+03 E0= -.69251836E+03 d E =-.151162E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692516417208E+03 -0.83353E-02 -0.59664E+00115584 0.584E+00 0.566E-01
RMM: 2 -0.692522980738E+03 -0.65635E-02 -0.10126E-01113880 0.736E-01 0.343E-01
RMM: 3 -0.692522940890E+03 0.39848E-04 -0.13242E-02113881 0.278E-01 0.147E-01
RMM: 4 -0.692523108091E+03 -0.16720E-03 -0.31967E-03117612 0.125E-01 0.513E-02
RMM: 5 -0.692523149336E+03 -0.41245E-04 -0.55401E-04120150 0.498E-02 0.247E-02
RMM: 6 -0.692523158316E+03 -0.89798E-05 -0.10994E-04111376 0.225E-02 0.709E-03
RMM: 7 -0.692523160055E+03 -0.17390E-05 -0.20343E-05 75380 0.942E-03
71 F= -.69252316E+03 E0= -.69253340E+03 d E =-.166239E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692621318600E+03 -0.98160E-01 -0.39035E+01113880 0.149E+01 0.141E+00
RMM: 2 -0.692668905383E+03 -0.47587E-01 -0.67225E-01113880 0.187E+00 0.857E-01
RMM: 3 -0.692669125875E+03 -0.22049E-03 -0.81028E-02113895 0.689E-01 0.392E-01
RMM: 4 -0.692669859641E+03 -0.73377E-03 -0.19234E-02116334 0.310E-01 0.122E-01
RMM: 5 -0.692670170456E+03 -0.31081E-03 -0.36959E-03121701 0.126E-01 0.663E-02
RMM: 6 -0.692670222072E+03 -0.51616E-04 -0.61556E-04118865 0.544E-02 0.175E-02
RMM: 7 -0.692670233854E+03 -0.11782E-04 -0.13660E-04117471 0.241E-02 0.958E-03
RMM: 8 -0.692670235882E+03 -0.20279E-05 -0.21426E-05 76900 0.964E-03
72 F= -.69267024E+03 E0= -.69268061E+03 d E =-.147076E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692675360409E+03 -0.51266E-02 -0.54489E+00117612 0.557E+00 0.522E-01
RMM: 2 -0.692681888083E+03 -0.65277E-02 -0.92950E-02113880 0.697E-01 0.319E-01
RMM: 3 -0.692681914717E+03 -0.26634E-04 -0.11230E-02113898 0.257E-01 0.143E-01
RMM: 4 -0.692682028957E+03 -0.11424E-03 -0.26705E-03116527 0.115E-01 0.442E-02
RMM: 5 -0.692682070756E+03 -0.41799E-04 -0.50717E-04121596 0.466E-02 0.241E-02
RMM: 6 -0.692682077687E+03 -0.69315E-05 -0.84811E-05107114 0.202E-02
73 F= -.69268208E+03 E0= -.69269249E+03 d E =-.158918E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692759581852E+03 -0.77511E-01 -0.42862E+01113880 0.156E+01 0.145E+00
RMM: 2 -0.692812586339E+03 -0.53004E-01 -0.74833E-01113880 0.196E+00 0.893E-01
RMM: 3 -0.692813268210E+03 -0.68187E-03 -0.90993E-02113880 0.724E-01 0.430E-01
RMM: 4 -0.692814022166E+03 -0.75396E-03 -0.20419E-02115479 0.323E-01 0.144E-01
RMM: 5 -0.692814401961E+03 -0.37979E-03 -0.42761E-03122494 0.133E-01 0.706E-02
RMM: 6 -0.692814461536E+03 -0.59575E-04 -0.69099E-04118325 0.575E-02 0.176E-02
RMM: 7 -0.692814473699E+03 -0.12163E-04 -0.15075E-04117683 0.254E-02 0.107E-02
RMM: 8 -0.692814475964E+03 -0.22651E-05 -0.26394E-05 79093 0.104E-02
74 F= -.69281448E+03 E0= -.69282503E+03 d E =-.132398E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692816787570E+03 -0.23139E-02 -0.30415E+00119922 0.414E+00 0.383E-01
RMM: 2 -0.692820433361E+03 -0.36458E-02 -0.51933E-02113880 0.517E-01 0.236E-01
RMM: 3 -0.692820481463E+03 -0.48101E-04 -0.63252E-03113880 0.191E-01 0.109E-01
RMM: 4 -0.692820546133E+03 -0.64671E-04 -0.14308E-03115939 0.850E-02 0.357E-02
RMM: 5 -0.692820571636E+03 -0.25503E-04 -0.29061E-04122169 0.349E-02 0.181E-02
RMM: 6 -0.692820575829E+03 -0.41931E-05 -0.47359E-05 91122 0.151E-02
75 F= -.69282058E+03 E0= -.69283116E+03 d E =-.138498E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692897322718E+03 -0.76751E-01 -0.48091E+01113880 0.164E+01 0.153E+00
RMM: 2 -0.692956901270E+03 -0.59579E-01 -0.83366E-01113880 0.207E+00 0.916E-01
RMM: 3 -0.692957798729E+03 -0.89746E-03 -0.99510E-02113880 0.762E-01 0.421E-01
RMM: 4 -0.692958713116E+03 -0.91439E-03 -0.22850E-02115661 0.341E-01 0.129E-01
RMM: 5 -0.692959114053E+03 -0.40094E-03 -0.46475E-03122048 0.139E-01 0.681E-02
RMM: 6 -0.692959175022E+03 -0.60969E-04 -0.73625E-04118015 0.599E-02 0.188E-02
RMM: 7 -0.692959188683E+03 -0.13662E-04 -0.16316E-04119364 0.266E-02 0.111E-02
RMM: 8 -0.692959191430E+03 -0.27470E-05 -0.29328E-05 80753 0.110E-02
76 F= -.69295919E+03 E0= -.69296951E+03 d E =-.138616E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.692962128991E+03 -0.29403E-02 -0.58200E+00114918 0.572E+00 0.527E-01
RMM: 2 -0.692969174824E+03 -0.70458E-02 -0.99595E-02113880 0.716E-01 0.319E-01
RMM: 3 -0.692969240462E+03 -0.65638E-04 -0.11881E-02113880 0.263E-01 0.142E-01
RMM: 4 -0.692969364190E+03 -0.12373E-03 -0.27375E-03115868 0.118E-01 0.433E-02
RMM: 5 -0.692969410073E+03 -0.45883E-04 -0.54834E-04121895 0.478E-02 0.232E-02
RMM: 6 -0.692969417271E+03 -0.71973E-05 -0.88137E-05107145 0.207E-02
77 F= -.69296942E+03 E0= -.69297964E+03 d E =-.148841E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693025128449E+03 -0.55718E-01 -0.57493E+01113880 0.180E+01 0.163E+00
RMM: 2 -0.693099401933E+03 -0.74273E-01 -0.10009E+00113880 0.226E+00 0.984E-01
RMM: 3 -0.693101126246E+03 -0.17243E-02 -0.11537E-01113902 0.820E-01 0.473E-01
RMM: 4 -0.693102052039E+03 -0.92579E-03 -0.26263E-02115458 0.367E-01 0.139E-01
RMM: 5 -0.693102529516E+03 -0.47748E-03 -0.53436E-03122437 0.149E-01 0.772E-02
RMM: 6 -0.693102598694E+03 -0.69177E-04 -0.81698E-04118255 0.637E-02 0.197E-02
RMM: 7 -0.693102613636E+03 -0.14943E-04 -0.17915E-04120811 0.280E-02 0.114E-02
RMM: 8 -0.693102616691E+03 -0.30548E-05 -0.32968E-05 83997 0.117E-02
78 F= -.69310262E+03 E0= -.69311268E+03 d E =-.133199E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693103687965E+03 -0.10743E-02 -0.45865E+00118374 0.509E+00 0.456E-01
RMM: 2 -0.693109430593E+03 -0.57426E-02 -0.78202E-02113880 0.633E-01 0.278E-01
RMM: 3 -0.693109528753E+03 -0.98160E-04 -0.89587E-03113899 0.229E-01 0.128E-01
RMM: 4 -0.693109614202E+03 -0.85449E-04 -0.20581E-03115745 0.102E-01 0.379E-02
RMM: 5 -0.693109649682E+03 -0.35480E-04 -0.40997E-04122215 0.414E-02 0.213E-02
RMM: 6 -0.693109654956E+03 -0.52745E-05 -0.63924E-05101120 0.178E-02
79 F= -.69310965E+03 E0= -.69311968E+03 d E =-.140238E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693167222466E+03 -0.57573E-01 -0.49943E+01113880 0.168E+01 0.152E+00
RMM: 2 -0.693232325901E+03 -0.65103E-01 -0.88362E-01113880 0.211E+00 0.913E-01
RMM: 3 -0.693234742956E+03 -0.24171E-02 -0.10188E-01113895 0.766E-01 0.476E-01
RMM: 4 -0.693235422249E+03 -0.67929E-03 -0.22751E-02115252 0.343E-01 0.147E-01
RMM: 5 -0.693235871135E+03 -0.44889E-03 -0.47799E-03122858 0.140E-01 0.746E-02
RMM: 6 -0.693235933523E+03 -0.62389E-04 -0.72522E-04117491 0.599E-02 0.196E-02
RMM: 7 -0.693235947635E+03 -0.14112E-04 -0.16210E-04118692 0.264E-02 0.105E-02
RMM: 8 -0.693235949880E+03 -0.22445E-05 -0.27019E-05 80233 0.107E-02
80 F= -.69323595E+03 E0= -.69324594E+03 d E =-.126295E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693233451492E+03 0.24961E-02 -0.15559E+01113880 0.934E+00 0.839E-01
RMM: 2 -0.693253236637E+03 -0.19785E-01 -0.26998E-01113880 0.117E+00 0.507E-01
RMM: 3 -0.693253925710E+03 -0.68907E-03 -0.30864E-02113892 0.422E-01 0.255E-01
RMM: 4 -0.693254172373E+03 -0.24666E-03 -0.69341E-03115310 0.189E-01 0.775E-02
RMM: 5 -0.693254306443E+03 -0.13407E-03 -0.14477E-03122878 0.767E-02 0.410E-02
RMM: 6 -0.693254325407E+03 -0.18964E-04 -0.21902E-04116608 0.330E-02 0.101E-02
RMM: 7 -0.693254329438E+03 -0.40308E-05 -0.47599E-05 89639 0.146E-02
81 F= -.69325433E+03 E0= -.69326430E+03 d E =-.144674E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693313385044E+03 -0.59060E-01 -0.53816E+01113880 0.174E+01 0.155E+00
RMM: 2 -0.693384315225E+03 -0.70930E-01 -0.94836E-01113880 0.218E+00 0.914E-01
RMM: 3 -0.693387399832E+03 -0.30846E-02 -0.10766E-01113907 0.790E-01 0.458E-01
RMM: 4 -0.693388294179E+03 -0.89435E-03 -0.24112E-02114976 0.354E-01 0.125E-01
RMM: 5 -0.693388755198E+03 -0.46102E-03 -0.50608E-03122944 0.144E-01 0.730E-02
RMM: 6 -0.693388816427E+03 -0.61229E-04 -0.75028E-04116885 0.613E-02 0.203E-02
RMM: 7 -0.693388830931E+03 -0.14504E-04 -0.17427E-04120121 0.274E-02 0.111E-02
RMM: 8 -0.693388833427E+03 -0.24963E-05 -0.29485E-05 81340 0.112E-02
82 F= -.69338883E+03 E0= -.69339864E+03 d E =-.134504E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693369451269E+03 0.19380E-01 -0.41497E+01113880 0.153E+01 0.136E+00
RMM: 2 -0.693423948772E+03 -0.54498E-01 -0.73023E-01113880 0.192E+00 0.804E-01
RMM: 3 -0.693426238603E+03 -0.22898E-02 -0.82460E-02113911 0.692E-01 0.400E-01
RMM: 4 -0.693426929099E+03 -0.69050E-03 -0.18463E-02114952 0.310E-01 0.108E-01
RMM: 5 -0.693427279637E+03 -0.35054E-03 -0.38754E-03122939 0.126E-01 0.631E-02
RMM: 6 -0.693427326460E+03 -0.46823E-04 -0.57310E-04116603 0.536E-02 0.175E-02
RMM: 7 -0.693427337500E+03 -0.11040E-04 -0.13345E-04116326 0.240E-02 0.976E-03
RMM: 8 -0.693427339381E+03 -0.18817E-05 -0.22230E-05 76829 0.981E-03
83 F= -.69342734E+03 E0= -.69343702E+03 d E =-.173010E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693454841738E+03 -0.27504E-01 -0.74093E+01113880 0.204E+01 0.180E+00
RMM: 2 -0.693558934971E+03 -0.10409E+00 -0.13432E+00113880 0.257E+00 0.107E+00
RMM: 3 -0.693563601669E+03 -0.46667E-02 -0.14833E-01113887 0.920E-01 0.551E-01
RMM: 4 -0.693564571597E+03 -0.96993E-03 -0.33085E-02114940 0.413E-01 0.151E-01
RMM: 5 -0.693565204875E+03 -0.63328E-03 -0.67617E-03123375 0.165E-01 0.853E-02
RMM: 6 -0.693565286601E+03 -0.81726E-04 -0.94793E-04118361 0.690E-02 0.244E-02
RMM: 7 -0.693565304861E+03 -0.18261E-04 -0.20511E-04122839 0.301E-02 0.113E-02
RMM: 8 -0.693565307974E+03 -0.31124E-05 -0.35424E-05 84623 0.122E-02
84 F= -.69356531E+03 E0= -.69357489E+03 d E =-.137969E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693556080268E+03 0.92246E-02 -0.20191E+01114030 0.107E+01 0.924E-01
RMM: 2 -0.693583251698E+03 -0.27171E-01 -0.35489E-01113880 0.133E+00 0.557E-01
RMM: 3 -0.693584237326E+03 -0.98563E-03 -0.38294E-02113887 0.473E-01 0.277E-01
RMM: 4 -0.693584529905E+03 -0.29258E-03 -0.86212E-03114722 0.212E-01 0.717E-02
RMM: 5 -0.693584698569E+03 -0.16866E-03 -0.18469E-03123266 0.866E-02 0.432E-02
RMM: 6 -0.693584720718E+03 -0.22149E-04 -0.26375E-04117411 0.365E-02 0.115E-02
RMM: 7 -0.693584725555E+03 -0.48371E-05 -0.55969E-05 93650 0.161E-02
85 F= -.69358473E+03 E0= -.69359425E+03 d E =-.157386E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693625805707E+03 -0.41085E-01 -0.62397E+01113880 0.187E+01 0.164E+00
RMM: 2 -0.693712746006E+03 -0.86940E-01 -0.11274E+00113880 0.236E+00 0.966E-01
RMM: 3 -0.693717365001E+03 -0.46190E-02 -0.12562E-01113894 0.846E-01 0.503E-01
RMM: 4 -0.693718311181E+03 -0.94618E-03 -0.27234E-02114952 0.376E-01 0.138E-01
RMM: 5 -0.693718858585E+03 -0.54740E-03 -0.56440E-03123863 0.151E-01 0.750E-02
RMM: 6 -0.693718930971E+03 -0.72385E-04 -0.79586E-04118852 0.629E-02 0.211E-02
RMM: 7 -0.693718946341E+03 -0.15371E-04 -0.17208E-04118871 0.271E-02 0.106E-02
RMM: 8 -0.693718948484E+03 -0.21426E-05 -0.25417E-05 80043 0.104E-02
86 F= -.69371895E+03 E0= -.69372846E+03 d E =-.134223E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693667661293E+03 0.51285E-01 -0.66045E+01113880 0.193E+01 0.169E+00
RMM: 2 -0.693760855036E+03 -0.93194E-01 -0.12053E+00113880 0.242E+00 0.992E-01
RMM: 3 -0.693766117247E+03 -0.52622E-02 -0.13465E-01113894 0.871E-01 0.519E-01
RMM: 4 -0.693767121338E+03 -0.10041E-02 -0.29013E-02114944 0.387E-01 0.142E-01
RMM: 5 -0.693767706268E+03 -0.58493E-03 -0.60200E-03123998 0.155E-01 0.778E-02
RMM: 6 -0.693767782543E+03 -0.76275E-04 -0.84498E-04118931 0.646E-02 0.224E-02
RMM: 7 -0.693767798844E+03 -0.16301E-04 -0.18170E-04119863 0.278E-02 0.109E-02
RMM: 8 -0.693767801128E+03 -0.22845E-05 -0.27193E-05 80651 0.108E-02
87 F= -.69376780E+03 E0= -.69377731E+03 d E =-.183076E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693781418317E+03 -0.13619E-01 -0.88916E+01113880 0.223E+01 0.194E+00
RMM: 2 -0.693912485866E+03 -0.13107E+00 -0.16594E+00113880 0.282E+00 0.114E+00
RMM: 3 -0.693920741915E+03 -0.82560E-02 -0.18831E-01114191 0.101E+00 0.606E-01
RMM: 4 -0.693921759671E+03 -0.10178E-02 -0.37383E-02114857 0.441E-01 0.156E-01
RMM: 5 -0.693922530435E+03 -0.77076E-03 -0.80022E-03123420 0.179E-01 0.879E-02
RMM: 6 -0.693922632608E+03 -0.10217E-03 -0.11629E-03120021 0.750E-02 0.304E-02
RMM: 7 -0.693922653728E+03 -0.21121E-04 -0.23227E-04122463 0.317E-02 0.115E-02
RMM: 8 -0.693922656855E+03 -0.31271E-05 -0.36110E-05 84837 0.125E-02
88 F= -.69392266E+03 E0= -.69393204E+03 d E =-.154856E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693865238831E+03 0.57415E-01 -0.63113E+01113880 0.188E+01 0.163E+00
RMM: 2 -0.693957247344E+03 -0.92009E-01 -0.11695E+00113880 0.237E+00 0.959E-01
RMM: 3 -0.693962881247E+03 -0.56339E-02 -0.13104E-01114198 0.848E-01 0.504E-01
RMM: 4 -0.693963652995E+03 -0.77175E-03 -0.26253E-02114851 0.370E-01 0.127E-01
RMM: 5 -0.693964190470E+03 -0.53748E-03 -0.56270E-03123442 0.150E-01 0.732E-02
RMM: 6 -0.693964261572E+03 -0.71103E-04 -0.81705E-04119535 0.629E-02 0.244E-02
RMM: 7 -0.693964276563E+03 -0.14991E-04 -0.16486E-04118369 0.267E-02 0.977E-03
RMM: 8 -0.693964278680E+03 -0.21167E-05 -0.24614E-05 79783 0.104E-02
89 F= -.69396428E+03 E0= -.69397354E+03 d E =-.196478E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.693942314249E+03 0.21962E-01 -0.10871E+02113880 0.246E+01 0.213E+00
RMM: 2 -0.694109770271E+03 -0.16746E+00 -0.20781E+00113880 0.314E+00 0.126E+00
RMM: 3 -0.694120418590E+03 -0.10648E-01 -0.23224E-01114140 0.111E+00 0.675E-01
RMM: 4 -0.694121483983E+03 -0.10654E-02 -0.44941E-02114704 0.484E-01 0.170E-01
RMM: 5 -0.694122402665E+03 -0.91868E-03 -0.96153E-03123356 0.197E-01 0.961E-02
RMM: 6 -0.694122524131E+03 -0.12147E-03 -0.13851E-03119691 0.823E-02 0.367E-02
RMM: 7 -0.694122549926E+03 -0.25795E-04 -0.27958E-04122525 0.354E-02 0.116E-02
RMM: 8 -0.694122554188E+03 -0.42622E-05 -0.50325E-05 88871 0.147E-02
90 F= -.69412255E+03 E0= -.69413164E+03 d E =-.158276E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694048375467E+03 0.74174E-01 -0.74281E+01113880 0.203E+01 0.175E+00
RMM: 2 -0.694159566232E+03 -0.11119E+00 -0.13894E+00113880 0.258E+00 0.104E+00
RMM: 3 -0.694165376368E+03 -0.58101E-02 -0.14687E-01113880 0.910E-01 0.542E-01
RMM: 4 -0.694166345195E+03 -0.96883E-03 -0.31531E-02114675 0.406E-01 0.135E-01
RMM: 5 -0.694166975272E+03 -0.63008E-03 -0.67783E-03123238 0.165E-01 0.804E-02
RMM: 6 -0.694167061603E+03 -0.86331E-04 -0.98438E-04119029 0.695E-02 0.276E-02
RMM: 7 -0.694167080901E+03 -0.19298E-04 -0.20679E-04121480 0.301E-02 0.105E-02
RMM: 8 -0.694167083851E+03 -0.29500E-05 -0.33590E-05 82633 0.120E-02
91 F= -.69416708E+03 E0= -.69417588E+03 d E =-.202805E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694134335453E+03 0.32745E-01 -0.11588E+02113880 0.253E+01 0.220E+00
RMM: 2 -0.694315560527E+03 -0.18123E+00 -0.22526E+00113880 0.324E+00 0.129E+00
RMM: 3 -0.694327281596E+03 -0.11721E-01 -0.24966E-01114012 0.115E+00 0.717E-01
RMM: 4 -0.694328439105E+03 -0.11575E-02 -0.50180E-02114798 0.509E-01 0.184E-01
RMM: 5 -0.694329438537E+03 -0.99943E-03 -0.10408E-02123332 0.204E-01 0.999E-02
RMM: 6 -0.694329571429E+03 -0.13289E-03 -0.15155E-03120165 0.854E-02 0.407E-02
RMM: 7 -0.694329599595E+03 -0.28167E-04 -0.30021E-04122120 0.365E-02 0.121E-02
RMM: 8 -0.694329604128E+03 -0.45324E-05 -0.55200E-05 90278 0.153E-02
92 F= -.69432960E+03 E0= -.69433819E+03 d E =-.162520E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694223528911E+03 0.10607E+00 -0.90814E+01113880 0.224E+01 0.195E+00
RMM: 2 -0.694363986401E+03 -0.14046E+00 -0.17520E+00113880 0.286E+00 0.114E+00
RMM: 3 -0.694373311748E+03 -0.93253E-02 -0.19350E-01113885 0.102E+00 0.624E-01
RMM: 4 -0.694374485642E+03 -0.11739E-02 -0.40123E-02114885 0.453E-01 0.161E-01
RMM: 5 -0.694375269757E+03 -0.78412E-03 -0.82156E-03123416 0.180E-01 0.890E-02
RMM: 6 -0.694375372642E+03 -0.10288E-03 -0.11835E-03119791 0.756E-02 0.344E-02
RMM: 7 -0.694375395329E+03 -0.22687E-04 -0.23935E-04121146 0.324E-02 0.109E-02
RMM: 8 -0.694375398721E+03 -0.33925E-05 -0.41836E-05 85849 0.133E-02
93 F= -.69437540E+03 E0= -.69438375E+03 d E =-.208315E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694300985280E+03 0.74410E-01 -0.14643E+02113880 0.283E+01 0.248E+00
RMM: 2 -0.694544197451E+03 -0.24321E+00 -0.29918E+00113880 0.368E+00 0.144E+00
RMM: 3 -0.694563120498E+03 -0.18923E-01 -0.34528E-01114170 0.132E+00 0.820E-01
RMM: 4 -0.694564256206E+03 -0.11357E-02 -0.65007E-02114856 0.575E-01 0.210E-01
RMM: 5 -0.694565544842E+03 -0.12886E-02 -0.13380E-02123077 0.230E-01 0.109E-01
RMM: 6 -0.694565705471E+03 -0.16063E-03 -0.19394E-03121428 0.957E-02 0.517E-02
RMM: 7 -0.694565736862E+03 -0.31391E-04 -0.34916E-04119505 0.406E-02 0.123E-02
RMM: 8 -0.694565743378E+03 -0.65156E-05 -0.79236E-05 99428 0.182E-02
94 F= -.69456574E+03 E0= -.69457395E+03 d E =-.190345E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694357431413E+03 0.20831E+00 -0.15184E+02113880 0.289E+01 0.255E+00
RMM: 2 -0.694613163246E+03 -0.25573E+00 -0.31516E+00113880 0.379E+00 0.147E+00
RMM: 3 -0.694633369697E+03 -0.20206E-01 -0.35899E-01114028 0.136E+00 0.842E-01
RMM: 4 -0.694634790839E+03 -0.14211E-02 -0.70933E-02114850 0.601E-01 0.218E-01
RMM: 5 -0.694636217854E+03 -0.14270E-02 -0.14923E-02123175 0.242E-01 0.117E-01
RMM: 6 -0.694636381574E+03 -0.16372E-03 -0.21289E-03121189 0.101E-01 0.565E-02
RMM: 7 -0.694636417847E+03 -0.36273E-04 -0.39750E-04118479 0.434E-02 0.128E-02
RMM: 8 -0.694636425541E+03 -0.76941E-05 -0.94454E-05103136 0.197E-02
95 F= -.69463643E+03 E0= -.69464451E+03 d E =-.261027E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694459234724E+03 0.17718E+00 -0.19588E+02113880 0.327E+01 0.287E+00
RMM: 2 -0.694812558264E+03 -0.35332E+00 -0.42661E+00113880 0.435E+00 0.168E+00
RMM: 3 -0.694837326230E+03 -0.24768E-01 -0.46338E-01113896 0.155E+00 0.985E-01
RMM: 4 -0.694838063939E+03 -0.73771E-03 -0.96262E-02114681 0.701E-01 0.246E-01
RMM: 5 -0.694839931897E+03 -0.18680E-02 -0.20841E-02122405 0.285E-01 0.139E-01
RMM: 6 -0.694840149436E+03 -0.21754E-03 -0.30198E-03121710 0.119E-01 0.744E-02
RMM: 7 -0.694840196302E+03 -0.46867E-04 -0.55755E-04114240 0.531E-02 0.145E-02
RMM: 8 -0.694840210078E+03 -0.13775E-04 -0.16456E-04117943 0.254E-02 0.115E-02
RMM: 9 -0.694840212411E+03 -0.23329E-05 -0.21403E-05 74601 0.950E-03
96 F= -.69484021E+03 E0= -.69484816E+03 d E =-.203787E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694813540439E+03 0.26670E-01 -0.27418E+01116934 0.122E+01 0.104E+00
RMM: 2 -0.694854804020E+03 -0.41264E-01 -0.51474E-01113880 0.154E+00 0.621E-01
RMM: 3 -0.694856860023E+03 -0.20560E-02 -0.52084E-02113888 0.537E-01 0.332E-01
RMM: 4 -0.694857156011E+03 -0.29599E-03 -0.11562E-02114665 0.241E-01 0.778E-02
RMM: 5 -0.694857384486E+03 -0.22847E-03 -0.25159E-03122990 0.975E-02 0.476E-02
RMM: 6 -0.694857412892E+03 -0.28406E-04 -0.35319E-04118671 0.412E-02 0.170E-02
RMM: 7 -0.694857419629E+03 -0.67370E-05 -0.71951E-05 99818 0.177E-02
97 F= -.69485742E+03 E0= -.69486532E+03 d E =-.220994E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.694738131369E+03 0.11928E+00 -0.16110E+02113880 0.296E+01 0.261E+00
RMM: 2 -0.695018088789E+03 -0.27996E+00 -0.34410E+00113880 0.392E+00 0.152E+00
RMM: 3 -0.695039220396E+03 -0.21132E-01 -0.37701E-01113934 0.140E+00 0.914E-01
RMM: 4 -0.695039952732E+03 -0.73234E-03 -0.76300E-02114791 0.625E-01 0.244E-01
RMM: 5 -0.695041516587E+03 -0.15639E-02 -0.16396E-02122842 0.255E-01 0.127E-01
RMM: 6 -0.695041699164E+03 -0.18258E-03 -0.23978E-03121124 0.107E-01 0.621E-02
RMM: 7 -0.695041740756E+03 -0.41592E-04 -0.45527E-04116841 0.468E-02 0.136E-02
RMM: 8 -0.695041750761E+03 -0.10005E-04 -0.11723E-04108007 0.213E-02 0.949E-03
RMM: 9 -0.695041752534E+03 -0.17726E-05 -0.16219E-05 73173 0.839E-03
98 F= -.69504175E+03 E0= -.69504988E+03 d E =-.184333E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695024619581E+03 0.17131E-01 -0.18887E+01117408 0.102E+01 0.862E-01
RMM: 2 -0.695052581921E+03 -0.27962E-01 -0.35229E-01113880 0.128E+00 0.513E-01
RMM: 3 -0.695054187282E+03 -0.16054E-02 -0.36332E-02113905 0.447E-01 0.278E-01
RMM: 4 -0.695054418655E+03 -0.23137E-03 -0.78702E-03114900 0.199E-01 0.682E-02
RMM: 5 -0.695054577116E+03 -0.15846E-03 -0.16718E-03123262 0.805E-02 0.404E-02
RMM: 6 -0.695054597748E+03 -0.20632E-04 -0.24072E-04117774 0.343E-02 0.130E-02
RMM: 7 -0.695054602420E+03 -0.46719E-05 -0.50084E-05 89452 0.148E-02
99 F= -.69505460E+03 E0= -.69506281E+03 d E =-.197183E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695031073885E+03 0.23524E-01 -0.11483E+02113880 0.250E+01 0.218E+00
RMM: 2 -0.695216977575E+03 -0.18590E+00 -0.23078E+00113880 0.323E+00 0.128E+00
RMM: 3 -0.695229540599E+03 -0.12563E-01 -0.25335E-01114049 0.115E+00 0.719E-01
RMM: 4 -0.695230734435E+03 -0.11938E-02 -0.52416E-02114831 0.512E-01 0.190E-01
RMM: 5 -0.695231738232E+03 -0.10038E-02 -0.10557E-02122684 0.204E-01 0.102E-01
RMM: 6 -0.695231864185E+03 -0.12595E-03 -0.15658E-03119375 0.865E-02 0.385E-02
RMM: 7 -0.695231893940E+03 -0.29755E-04 -0.32946E-04125256 0.372E-02 0.139E-02
RMM: 8 -0.695231898214E+03 -0.42738E-05 -0.55337E-05 90674 0.151E-02
100 F= -.69523190E+03 E0= -.69524012E+03 d E =-.177296E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695216177231E+03 0.15717E-01 -0.21721E+01114774 0.109E+01 0.931E-01
RMM: 2 -0.695248172989E+03 -0.31996E-01 -0.40463E-01113880 0.137E+00 0.552E-01
RMM: 3 -0.695249907894E+03 -0.17349E-02 -0.42303E-02113986 0.480E-01 0.290E-01
RMM: 4 -0.695250214644E+03 -0.30675E-03 -0.90657E-03114627 0.213E-01 0.734E-02
RMM: 5 -0.695250391253E+03 -0.17661E-03 -0.19034E-03122718 0.865E-02 0.432E-02
RMM: 6 -0.695250415202E+03 -0.23949E-04 -0.28460E-04117078 0.372E-02 0.129E-02
RMM: 7 -0.695250420377E+03 -0.51748E-05 -0.62162E-05 94065 0.163E-02
101 F= -.69525042E+03 E0= -.69525865E+03 d E =-.195818E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695215617449E+03 0.34798E-01 -0.11911E+02113880 0.256E+01 0.220E+00
RMM: 2 -0.695404782312E+03 -0.18916E+00 -0.23424E+00113880 0.329E+00 0.132E+00
RMM: 3 -0.695416334302E+03 -0.11552E-01 -0.25385E-01113893 0.117E+00 0.719E-01
RMM: 4 -0.695417617478E+03 -0.12832E-02 -0.54754E-02114733 0.527E-01 0.179E-01
RMM: 5 -0.695418718664E+03 -0.11012E-02 -0.11833E-02122837 0.215E-01 0.105E-01
RMM: 6 -0.695418851289E+03 -0.13262E-03 -0.17077E-03119709 0.904E-02 0.411E-02
RMM: 7 -0.695418884049E+03 -0.32760E-04 -0.36187E-04123870 0.397E-02 0.136E-02
RMM: 8 -0.695418889524E+03 -0.54751E-05 -0.64314E-05 93794 0.161E-02
102 F= -.69541889E+03 E0= -.69542686E+03 d E =-.168469E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695414922087E+03 0.39620E-02 -0.78363E+00120030 0.658E+00 0.548E-01
RMM: 2 -0.695426011823E+03 -0.11090E-01 -0.14036E-01113880 0.816E-01 0.335E-01
RMM: 3 -0.695426512785E+03 -0.50096E-03 -0.14560E-02113886 0.286E-01 0.170E-01
RMM: 4 -0.695426631169E+03 -0.11838E-03 -0.32996E-03114766 0.128E-01 0.427E-02
RMM: 5 -0.695426696461E+03 -0.65292E-04 -0.71868E-04123180 0.522E-02 0.264E-02
RMM: 6 -0.695426704703E+03 -0.82418E-05 -0.10246E-04109993 0.222E-02 0.697E-03
RMM: 7 -0.695426706538E+03 -0.18353E-05 -0.22025E-05 76561 0.993E-03
103 F= -.69542671E+03 E0= -.69543462E+03 d E =-.176286E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695421497290E+03 0.52074E-02 -0.10159E+02113880 0.237E+01 0.207E+00
RMM: 2 -0.695576150766E+03 -0.15465E+00 -0.19477E+00113880 0.303E+00 0.122E+00
RMM: 3 -0.695586218790E+03 -0.10068E-01 -0.21500E-01114026 0.108E+00 0.665E-01
RMM: 4 -0.695587646582E+03 -0.14278E-02 -0.45422E-02114929 0.479E-01 0.180E-01
RMM: 5 -0.695588595327E+03 -0.94875E-03 -0.96996E-03122970 0.197E-01 0.101E-01
RMM: 6 -0.695588715152E+03 -0.11982E-03 -0.14348E-03118960 0.833E-02 0.304E-02
RMM: 7 -0.695588744159E+03 -0.29007E-04 -0.32396E-04127027 0.366E-02 0.138E-02
RMM: 8 -0.695588747949E+03 -0.37899E-05 -0.47023E-05 87891 0.139E-02
104 F= -.69558875E+03 E0= -.69559652E+03 d E =-.162041E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695577056518E+03 0.11688E-01 -0.18224E+01114276 0.101E+01 0.856E-01
RMM: 2 -0.695602983937E+03 -0.25927E-01 -0.32977E-01113880 0.125E+00 0.512E-01
RMM: 3 -0.695604420460E+03 -0.14365E-02 -0.35451E-02113976 0.444E-01 0.261E-01
RMM: 4 -0.695604741658E+03 -0.32120E-03 -0.78102E-03115003 0.197E-01 0.685E-02
RMM: 5 -0.695604897112E+03 -0.15545E-03 -0.16501E-03122957 0.805E-02 0.415E-02
RMM: 6 -0.695604918286E+03 -0.21175E-04 -0.24464E-04116673 0.345E-02 0.103E-02
RMM: 7 -0.695604922835E+03 -0.45485E-05 -0.55734E-05 92044 0.155E-02
105 F= -.69560492E+03 E0= -.69561262E+03 d E =-.178216E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695630701683E+03 -0.25783E-01 -0.84758E+01113880 0.217E+01 0.190E+00
RMM: 2 -0.695752186528E+03 -0.12148E+00 -0.15469E+00113880 0.274E+00 0.112E+00
RMM: 3 -0.695759035233E+03 -0.68487E-02 -0.16743E-01113937 0.971E-01 0.584E-01
RMM: 4 -0.695760411496E+03 -0.13763E-02 -0.37298E-02114776 0.431E-01 0.156E-01
RMM: 5 -0.695761147725E+03 -0.73623E-03 -0.79585E-03122633 0.178E-01 0.915E-02
RMM: 6 -0.695761240570E+03 -0.92846E-04 -0.11622E-03117868 0.754E-02 0.279E-02
RMM: 7 -0.695761263935E+03 -0.23364E-04 -0.26677E-04125861 0.335E-02 0.133E-02
RMM: 8 -0.695761267517E+03 -0.35823E-05 -0.40958E-05 86940 0.129E-02
106 F= -.69576127E+03 E0= -.69576910E+03 d E =-.156345E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695748387395E+03 0.12877E-01 -0.23843E+01114258 0.115E+01 0.998E-01
RMM: 2 -0.695781270928E+03 -0.32884E-01 -0.42266E-01113880 0.144E+00 0.597E-01
RMM: 3 -0.695782934340E+03 -0.16634E-02 -0.45083E-02113907 0.508E-01 0.300E-01
RMM: 4 -0.695783365561E+03 -0.43122E-03 -0.10221E-02114859 0.225E-01 0.808E-02
RMM: 5 -0.695783561444E+03 -0.19588E-03 -0.21577E-03122603 0.923E-02 0.482E-02
RMM: 6 -0.695783587126E+03 -0.25682E-04 -0.31721E-04117044 0.395E-02 0.130E-02
RMM: 7 -0.695783593138E+03 -0.60115E-05 -0.72414E-05 99578 0.177E-02
107 F= -.69578359E+03 E0= -.69579152E+03 d E =-.178670E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695795516447E+03 -0.11929E-01 -0.86488E+01113880 0.220E+01 0.199E+00
RMM: 2 -0.695923098171E+03 -0.12758E+00 -0.16408E+00113880 0.280E+00 0.116E+00
RMM: 3 -0.695930740445E+03 -0.76423E-02 -0.17762E-01114013 0.995E-01 0.621E-01
RMM: 4 -0.695931983450E+03 -0.12430E-02 -0.39608E-02114441 0.445E-01 0.161E-01
RMM: 5 -0.695932772744E+03 -0.78929E-03 -0.86361E-03122889 0.184E-01 0.934E-02
RMM: 6 -0.695932858648E+03 -0.85903E-04 -0.12160E-03117292 0.779E-02 0.328E-02
RMM: 7 -0.695932884903E+03 -0.26256E-04 -0.28885E-04125988 0.350E-02 0.130E-02
RMM: 8 -0.695932888600E+03 -0.36962E-05 -0.45548E-05 88682 0.141E-02
108 F= -.69593289E+03 E0= -.69594094E+03 d E =-.149295E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695923391594E+03 0.94933E-02 -0.17443E+01115326 0.986E+00 0.881E-01
RMM: 2 -0.695947802536E+03 -0.24411E-01 -0.31715E-01113880 0.124E+00 0.517E-01
RMM: 3 -0.695949153067E+03 -0.13505E-02 -0.33839E-02113994 0.436E-01 0.266E-01
RMM: 4 -0.695949455890E+03 -0.30282E-03 -0.77126E-03114435 0.195E-01 0.679E-02
RMM: 5 -0.695949606595E+03 -0.15070E-03 -0.16736E-03123036 0.804E-02 0.409E-02
RMM: 6 -0.695949624182E+03 -0.17587E-04 -0.23646E-04115767 0.342E-02 0.123E-02
RMM: 7 -0.695949628964E+03 -0.47822E-05 -0.55619E-05 92554 0.154E-02
109 F= -.69594963E+03 E0= -.69595776E+03 d E =-.166036E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.695925955630E+03 0.23669E-01 -0.99371E+01113880 0.236E+01 0.216E+00
RMM: 2 -0.696076702415E+03 -0.15075E+00 -0.19366E+00113880 0.304E+00 0.125E+00
RMM: 3 -0.696087208745E+03 -0.10506E-01 -0.21537E-01114163 0.109E+00 0.705E-01
RMM: 4 -0.696088830979E+03 -0.16222E-02 -0.47304E-02114937 0.484E-01 0.202E-01
RMM: 5 -0.696089795575E+03 -0.96460E-03 -0.10079E-02122547 0.200E-01 0.105E-01
RMM: 6 -0.696089906627E+03 -0.11105E-03 -0.15155E-03119059 0.853E-02 0.374E-02
RMM: 7 -0.696089937107E+03 -0.30479E-04 -0.33921E-04125802 0.372E-02 0.141E-02
RMM: 8 -0.696089941159E+03 -0.40520E-05 -0.53568E-05 90157 0.147E-02
110 F= -.69608994E+03 E0= -.69609806E+03 d E =-.140312E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696087820218E+03 0.21169E-02 -0.42396E+00120138 0.488E+00 0.438E-01
RMM: 2 -0.696093787694E+03 -0.59675E-02 -0.77773E-02113880 0.615E-01 0.256E-01
RMM: 3 -0.696094151100E+03 -0.36341E-03 -0.84135E-03114096 0.218E-01 0.135E-01
RMM: 4 -0.696094235044E+03 -0.83944E-04 -0.19504E-03115011 0.974E-02 0.363E-02
RMM: 5 -0.696094273114E+03 -0.38069E-04 -0.41016E-04122799 0.400E-02 0.208E-02
RMM: 6 -0.696094277891E+03 -0.47777E-05 -0.60676E-05 98339 0.171E-02
111 F= -.69609428E+03 E0= -.69610240E+03 d E =-.144649E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696107246569E+03 -0.12973E-01 -0.61030E+01113880 0.185E+01 0.171E+00
RMM: 2 -0.696197059914E+03 -0.89813E-01 -0.11490E+00113880 0.237E+00 0.983E-01
RMM: 3 -0.696203352640E+03 -0.62927E-02 -0.13244E-01114713 0.851E-01 0.521E-01
RMM: 4 -0.696204410559E+03 -0.10579E-02 -0.28124E-02115398 0.374E-01 0.142E-01
RMM: 5 -0.696204928117E+03 -0.51756E-03 -0.58259E-03122108 0.155E-01 0.748E-02
RMM: 6 -0.696204994410E+03 -0.66293E-04 -0.94061E-04119085 0.664E-02 0.275E-02
RMM: 7 -0.696205013672E+03 -0.19263E-04 -0.21176E-04120416 0.291E-02 0.114E-02
RMM: 8 -0.696205016173E+03 -0.25012E-05 -0.31404E-05 83179 0.112E-02
112 F= -.69620502E+03 E0= -.69621346E+03 d E =-.110738E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696204204149E+03 0.80952E-03 -0.30727E+00120084 0.417E+00 0.381E-01
RMM: 2 -0.696208687089E+03 -0.44829E-02 -0.57619E-02113880 0.529E-01 0.221E-01
RMM: 3 -0.696208985689E+03 -0.29860E-03 -0.64264E-03114673 0.188E-01 0.115E-01
RMM: 4 -0.696209040187E+03 -0.54498E-04 -0.13861E-03115407 0.828E-02 0.313E-02
RMM: 5 -0.696209065218E+03 -0.25031E-04 -0.28322E-04121524 0.340E-02 0.167E-02
RMM: 6 -0.696209068427E+03 -0.32096E-05 -0.44966E-05 91330 0.145E-02
113 F= -.69620907E+03 E0= -.69621758E+03 d E =-.114791E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696211053661E+03 -0.19884E-02 -0.62160E+01113880 0.188E+01 0.176E+00
RMM: 2 -0.696303967568E+03 -0.92914E-01 -0.12086E+00113880 0.241E+00 0.101E+00
RMM: 3 -0.696311164645E+03 -0.71971E-02 -0.13955E-01113954 0.876E-01 0.557E-01
RMM: 4 -0.696312494163E+03 -0.13295E-02 -0.31443E-02115103 0.392E-01 0.164E-01
RMM: 5 -0.696313138741E+03 -0.64458E-03 -0.69160E-03122451 0.165E-01 0.817E-02
RMM: 6 -0.696313212654E+03 -0.73914E-04 -0.10585E-03119226 0.705E-02 0.301E-02
RMM: 7 -0.696313234766E+03 -0.22111E-04 -0.24558E-04123229 0.309E-02 0.123E-02
RMM: 8 -0.696313237288E+03 -0.25227E-05 -0.32456E-05 84088 0.114E-02
114 F= -.69631324E+03 E0= -.69632188E+03 d E =-.104169E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696312797605E+03 0.43716E-03 -0.20646E+00120453 0.342E+00 0.316E-01
RMM: 2 -0.696315598005E+03 -0.28004E-02 -0.37147E-02113880 0.430E-01 0.182E-01
RMM: 3 -0.696315788590E+03 -0.19059E-03 -0.42341E-03113939 0.155E-01 0.944E-02
RMM: 4 -0.696315839457E+03 -0.50867E-04 -0.10069E-03115241 0.696E-02 0.267E-02
RMM: 5 -0.696315859500E+03 -0.20043E-04 -0.21676E-04121428 0.292E-02 0.143E-02
RMM: 6 -0.696315862166E+03 -0.26661E-05 -0.32901E-05 84587 0.124E-02
115 F= -.69631586E+03 E0= -.69632452E+03 d E =-.106794E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696337559066E+03 -0.21700E-01 -0.51786E+01113880 0.172E+01 0.158E+00
RMM: 2 -0.696406006738E+03 -0.68448E-01 -0.92347E-01113880 0.216E+00 0.907E-01
RMM: 3 -0.696410995305E+03 -0.49886E-02 -0.11076E-01114496 0.790E-01 0.474E-01
RMM: 4 -0.696412181238E+03 -0.11859E-02 -0.24965E-02115070 0.350E-01 0.138E-01
RMM: 5 -0.696412658079E+03 -0.47684E-03 -0.52044E-03122648 0.148E-01 0.733E-02
RMM: 6 -0.696412719269E+03 -0.61190E-04 -0.84447E-04119370 0.627E-02 0.248E-02
RMM: 7 -0.696412736770E+03 -0.17500E-04 -0.19200E-04120059 0.279E-02 0.103E-02
RMM: 8 -0.696412738968E+03 -0.21984E-05 -0.26119E-05 80669 0.102E-02
116 F= -.69641274E+03 E0= -.69642133E+03 d E =-.968768E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696412388091E+03 0.34868E-03 -0.34991E+00115818 0.446E+00 0.408E-01
RMM: 2 -0.696416866628E+03 -0.44785E-02 -0.61046E-02113880 0.556E-01 0.236E-01
RMM: 3 -0.696417175957E+03 -0.30933E-03 -0.72423E-03114443 0.203E-01 0.120E-01
RMM: 4 -0.696417259537E+03 -0.83581E-04 -0.16667E-03115136 0.900E-02 0.342E-02
RMM: 5 -0.696417290508E+03 -0.30970E-04 -0.34343E-04122565 0.379E-02 0.185E-02
RMM: 6 -0.696417294561E+03 -0.40528E-05 -0.54827E-05 96232 0.160E-02
117 F= -.69641729E+03 E0= -.69642587E+03 d E =-.101432E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696432886340E+03 -0.15596E-01 -0.50157E+01113880 0.169E+01 0.156E+00
RMM: 2 -0.696498947179E+03 -0.66061E-01 -0.88734E-01113880 0.211E+00 0.896E-01
RMM: 3 -0.696504005347E+03 -0.50582E-02 -0.10930E-01114741 0.779E-01 0.469E-01
RMM: 4 -0.696504979850E+03 -0.97450E-03 -0.23661E-02114861 0.344E-01 0.132E-01
RMM: 5 -0.696505423004E+03 -0.44315E-03 -0.49845E-03122624 0.146E-01 0.699E-02
RMM: 6 -0.696505480415E+03 -0.57411E-04 -0.82384E-04119060 0.617E-02 0.261E-02
RMM: 7 -0.696505497338E+03 -0.16923E-04 -0.18653E-04119544 0.278E-02 0.102E-02
RMM: 8 -0.696505499486E+03 -0.21482E-05 -0.27677E-05 80966 0.106E-02
118 F= -.69650550E+03 E0= -.69651422E+03 d E =-.882049E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696505158481E+03 0.33886E-03 -0.22712E+00120120 0.360E+00 0.330E-01
RMM: 2 -0.696508105943E+03 -0.29475E-02 -0.39797E-02113880 0.447E-01 0.190E-01
RMM: 3 -0.696508325915E+03 -0.21997E-03 -0.48607E-03114741 0.164E-01 0.974E-02
RMM: 4 -0.696508373412E+03 -0.47498E-04 -0.10627E-03114996 0.724E-02 0.272E-02
RMM: 5 -0.696508392803E+03 -0.19391E-04 -0.21968E-04121966 0.307E-02 0.146E-02
RMM: 6 -0.696508395430E+03 -0.26263E-05 -0.36127E-05 86900 0.130E-02
119 F= -.69650840E+03 E0= -.69651713E+03 d E =-.911009E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696524977512E+03 -0.16585E-01 -0.46180E+01113880 0.163E+01 0.150E+00
RMM: 2 -0.696583939316E+03 -0.58962E-01 -0.80910E-01113880 0.203E+00 0.879E-01
RMM: 3 -0.696588032399E+03 -0.40931E-02 -0.10021E-01113947 0.758E-01 0.461E-01
RMM: 4 -0.696589173716E+03 -0.11413E-02 -0.23828E-02115292 0.341E-01 0.144E-01
RMM: 5 -0.696589636873E+03 -0.46316E-03 -0.50111E-03122429 0.145E-01 0.739E-02
RMM: 6 -0.696589698841E+03 -0.61968E-04 -0.83141E-04119230 0.621E-02 0.211E-02
RMM: 7 -0.696589715717E+03 -0.16876E-04 -0.19383E-04121051 0.275E-02 0.109E-02
RMM: 8 -0.696589717320E+03 -0.16036E-05 -0.22963E-05 79025 0.967E-03
120 F= -.69658972E+03 E0= -.69659839E+03 d E =-.813219E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696589475957E+03 0.23976E-03 -0.23385E+00119994 0.366E+00 0.333E-01
RMM: 2 -0.696592362991E+03 -0.28870E-02 -0.39948E-02113880 0.452E-01 0.197E-01
RMM: 3 -0.696592556962E+03 -0.19397E-03 -0.49526E-03113930 0.169E-01 0.995E-02
RMM: 4 -0.696592619909E+03 -0.62947E-04 -0.12010E-03115390 0.761E-02 0.299E-02
RMM: 5 -0.696592642802E+03 -0.22893E-04 -0.25054E-04122254 0.323E-02 0.161E-02
RMM: 6 -0.696592645926E+03 -0.31239E-05 -0.40671E-05 89003 0.138E-02
121 F= -.69659265E+03 E0= -.69660130E+03 d E =-.842505E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696607124475E+03 -0.14482E-01 -0.40995E+01113880 0.153E+01 0.142E+00
RMM: 2 -0.696656153054E+03 -0.49029E-01 -0.69110E-01113880 0.190E+00 0.822E-01
RMM: 3 -0.696659246809E+03 -0.30938E-02 -0.90117E-02114673 0.715E-01 0.400E-01
RMM: 4 -0.696660298113E+03 -0.10513E-02 -0.20199E-02116137 0.314E-01 0.130E-01
RMM: 5 -0.696660636224E+03 -0.33811E-03 -0.38545E-03121455 0.132E-01 0.663E-02
RMM: 6 -0.696660696259E+03 -0.60035E-04 -0.72465E-04120004 0.575E-02 0.172E-02
RMM: 7 -0.696660710262E+03 -0.14003E-04 -0.16377E-04117235 0.255E-02 0.104E-02
RMM: 8 -0.696660712033E+03 -0.17701E-05 -0.21899E-05 78876 0.924E-03
122 F= -.69666071E+03 E0= -.69666926E+03 d E =-.680661E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696660773192E+03 -0.62929E-04 -0.32347E-01125268 0.136E+00 0.125E-01
RMM: 2 -0.696661158840E+03 -0.38565E-03 -0.54504E-03113880 0.168E-01 0.730E-02
RMM: 3 -0.696661182138E+03 -0.23298E-04 -0.71269E-04114700 0.634E-02 0.351E-02
RMM: 4 -0.696661190626E+03 -0.84883E-05 -0.16114E-04115176 0.279E-02 0.112E-02
RMM: 5 -0.696661193110E+03 -0.24835E-05 -0.29741E-05 79466 0.117E-02
123 F= -.69666119E+03 E0= -.69666973E+03 d E =-.685472E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696683414687E+03 -0.22224E-01 -0.30648E+01113880 0.133E+01 0.122E+00
RMM: 2 -0.696720319652E+03 -0.36905E-01 -0.51602E-01113880 0.164E+00 0.721E-01
RMM: 3 -0.696722400412E+03 -0.20808E-02 -0.67237E-02114534 0.617E-01 0.353E-01
RMM: 4 -0.696723133629E+03 -0.73322E-03 -0.15133E-02115564 0.274E-01 0.112E-01
RMM: 5 -0.696723389257E+03 -0.25563E-03 -0.29982E-03121743 0.116E-01 0.596E-02
RMM: 6 -0.696723430455E+03 -0.41198E-04 -0.52932E-04117971 0.502E-02 0.160E-02
RMM: 7 -0.696723441424E+03 -0.10969E-04 -0.13176E-04115476 0.231E-02 0.951E-03
RMM: 8 -0.696723442892E+03 -0.14683E-05 -0.18619E-05 75122 0.884E-03
124 F= -.69672344E+03 E0= -.69673205E+03 d E =-.622498E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696723658435E+03 -0.21701E-03 -0.20085E+00118062 0.339E+00 0.310E-01
RMM: 2 -0.696726012630E+03 -0.23542E-02 -0.33168E-02113880 0.416E-01 0.184E-01
RMM: 3 -0.696726140254E+03 -0.12762E-03 -0.43355E-03114537 0.157E-01 0.869E-02
RMM: 4 -0.696726193447E+03 -0.53193E-04 -0.98667E-04115847 0.694E-02 0.273E-02
RMM: 5 -0.696726209560E+03 -0.16113E-04 -0.19106E-04120346 0.292E-02 0.150E-02
RMM: 6 -0.696726212378E+03 -0.28181E-05 -0.33838E-05 86110 0.127E-02
125 F= -.69672621E+03 E0= -.69673484E+03 d E =-.650193E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696744514001E+03 -0.18304E-01 -0.29378E+01113880 0.130E+01 0.119E+00
RMM: 2 -0.696780070900E+03 -0.35557E-01 -0.50290E-01113880 0.161E+00 0.735E-01
RMM: 3 -0.696781463655E+03 -0.13928E-02 -0.63329E-02114075 0.603E-01 0.377E-01
RMM: 4 -0.696781960734E+03 -0.49708E-03 -0.15253E-02115021 0.274E-01 0.117E-01
RMM: 5 -0.696782232875E+03 -0.27214E-03 -0.31562E-03122671 0.116E-01 0.639E-02
RMM: 6 -0.696782270312E+03 -0.37437E-04 -0.53791E-04117946 0.507E-02 0.170E-02
RMM: 7 -0.696782281738E+03 -0.11426E-04 -0.12983E-04115005 0.227E-02 0.944E-03
RMM: 8 -0.696782282932E+03 -0.11942E-05 -0.16589E-05 73853 0.855E-03
126 F= -.69678228E+03 E0= -.69679076E+03 d E =-.560706E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696782458221E+03 -0.17648E-03 -0.52448E-01124530 0.173E+00 0.159E-01
RMM: 2 -0.696783083281E+03 -0.62506E-03 -0.88830E-03113880 0.215E-01 0.981E-02
RMM: 3 -0.696783106564E+03 -0.23283E-04 -0.11226E-03114064 0.803E-02 0.495E-02
RMM: 4 -0.696783116554E+03 -0.99905E-05 -0.27351E-04114545 0.365E-02 0.154E-02
RMM: 5 -0.696783121255E+03 -0.47003E-05 -0.55236E-05 95163 0.155E-02
127 F= -.69678312E+03 E0= -.69679157E+03 d E =-.569089E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696799440276E+03 -0.16324E-01 -0.23011E+01113880 0.115E+01 0.107E+00
RMM: 2 -0.696827984735E+03 -0.28544E-01 -0.39764E-01113880 0.143E+00 0.627E-01
RMM: 3 -0.696829524079E+03 -0.15393E-02 -0.50308E-02114659 0.533E-01 0.302E-01
RMM: 4 -0.696830025810E+03 -0.50173E-03 -0.10922E-02115115 0.234E-01 0.897E-02
RMM: 5 -0.696830206722E+03 -0.18091E-03 -0.21937E-03122387 0.987E-02 0.468E-02
RMM: 6 -0.696830234787E+03 -0.28065E-04 -0.37870E-04118627 0.423E-02 0.154E-02
RMM: 7 -0.696830240974E+03 -0.61874E-05 -0.79013E-05102762 0.187E-02
128 F= -.69683024E+03 E0= -.69683851E+03 d E =-.471197E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696830447598E+03 -0.21281E-03 -0.42337E-01123351 0.156E+00 0.145E-01
RMM: 2 -0.696830977697E+03 -0.53010E-03 -0.73488E-03113880 0.195E-01 0.853E-02
RMM: 3 -0.696831005783E+03 -0.28085E-04 -0.93446E-04114701 0.726E-02 0.410E-02
RMM: 4 -0.696831015398E+03 -0.96157E-05 -0.20508E-04114891 0.320E-02 0.124E-02
RMM: 5 -0.696831018470E+03 -0.30713E-05 -0.38860E-05 84653 0.134E-02
129 F= -.69683102E+03 E0= -.69683925E+03 d E =-.478972E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696845572554E+03 -0.14557E-01 -0.19869E+01113880 0.107E+01 0.101E+00
RMM: 2 -0.696870948562E+03 -0.25376E-01 -0.35469E-01113880 0.135E+00 0.601E-01
RMM: 3 -0.696872244352E+03 -0.12958E-02 -0.43751E-02114270 0.500E-01 0.306E-01
RMM: 4 -0.696872638836E+03 -0.39448E-03 -0.10528E-02114731 0.226E-01 0.899E-02
RMM: 5 -0.696872827596E+03 -0.18876E-03 -0.22229E-03123402 0.967E-02 0.497E-02
RMM: 6 -0.696872849101E+03 -0.21505E-04 -0.34123E-04117174 0.405E-02 0.146E-02
RMM: 7 -0.696872855980E+03 -0.68794E-05 -0.82686E-05105189 0.185E-02
130 F= -.69687286E+03 E0= -.69688123E+03 d E =-.418375E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696873018268E+03 -0.16917E-03 -0.37229E-01123891 0.146E+00 0.138E-01
RMM: 2 -0.696873485700E+03 -0.46743E-03 -0.65807E-03113880 0.184E-01 0.819E-02
RMM: 3 -0.696873509981E+03 -0.24282E-04 -0.82158E-04114315 0.685E-02 0.407E-02
RMM: 4 -0.696873518577E+03 -0.85959E-05 -0.19949E-04114542 0.310E-02 0.120E-02
RMM: 5 -0.696873521898E+03 -0.33205E-05 -0.39396E-05 84717 0.132E-02
131 F= -.69687352E+03 E0= -.69688191E+03 d E =-.425034E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696886770462E+03 -0.13252E-01 -0.20580E+01113880 0.109E+01 0.103E+00
RMM: 2 -0.696912720958E+03 -0.25950E-01 -0.36086E-01113880 0.136E+00 0.604E-01
RMM: 3 -0.696914146671E+03 -0.14257E-02 -0.44140E-02114259 0.502E-01 0.302E-01
RMM: 4 -0.696914624388E+03 -0.47772E-03 -0.10625E-02115268 0.226E-01 0.905E-02
RMM: 5 -0.696914807581E+03 -0.18319E-03 -0.21701E-03122857 0.952E-02 0.492E-02
RMM: 6 -0.696914831529E+03 -0.23948E-04 -0.35842E-04117351 0.411E-02 0.139E-02
RMM: 7 -0.696914838928E+03 -0.73984E-05 -0.88961E-05105602 0.188E-02
132 F= -.69691484E+03 E0= -.69692319E+03 d E =-.413170E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696915023024E+03 -0.19149E-03 -0.49099E-01122541 0.168E+00 0.158E-01
RMM: 2 -0.696915643278E+03 -0.62025E-03 -0.86358E-03113880 0.210E-01 0.935E-02
RMM: 3 -0.696915677494E+03 -0.34216E-04 -0.10641E-03114322 0.779E-02 0.470E-02
RMM: 4 -0.696915689124E+03 -0.11629E-04 -0.25712E-04115436 0.351E-02 0.144E-02
RMM: 5 -0.696915693175E+03 -0.40516E-05 -0.50519E-05 93356 0.148E-02
133 F= -.69691569E+03 E0= -.69692404E+03 d E =-.421713E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696923754901E+03 -0.80658E-02 -0.19593E+01113880 0.106E+01 0.101E+00
RMM: 2 -0.696948889438E+03 -0.25135E-01 -0.34834E-01113880 0.134E+00 0.585E-01
RMM: 3 -0.696950489619E+03 -0.16002E-02 -0.43888E-02114601 0.497E-01 0.293E-01
RMM: 4 -0.696950883736E+03 -0.39412E-03 -0.97259E-03114967 0.220E-01 0.858E-02
RMM: 5 -0.696951063603E+03 -0.17987E-03 -0.20682E-03123384 0.938E-02 0.466E-02
RMM: 6 -0.696951086082E+03 -0.22480E-04 -0.33274E-04118145 0.395E-02 0.164E-02
RMM: 7 -0.696951092040E+03 -0.59576E-05 -0.73610E-05100710 0.178E-02
134 F= -.69695109E+03 E0= -.69695923E+03 d E =-.353989E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696951113930E+03 -0.27848E-04 -0.27239E-02132090 0.396E-01 0.375E-02
RMM: 2 -0.696951149923E+03 -0.35992E-04 -0.49372E-04113880 0.504E-02 0.220E-02
RMM: 3 -0.696951152320E+03 -0.23977E-05 -0.63926E-05105290 0.190E-02
135 F= -.69695115E+03 E0= -.69695928E+03 d E =-.354591E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696961614146E+03 -0.10464E-01 -0.15777E+01113880 0.954E+00 0.902E-01
RMM: 2 -0.696981496616E+03 -0.19882E-01 -0.27402E-01113880 0.119E+00 0.537E-01
RMM: 3 -0.696982611187E+03 -0.11146E-02 -0.34478E-02114335 0.442E-01 0.260E-01
RMM: 4 -0.696983001764E+03 -0.39058E-03 -0.81368E-03115725 0.197E-01 0.780E-02
RMM: 5 -0.696983145967E+03 -0.14420E-03 -0.16732E-03123218 0.836E-02 0.417E-02
RMM: 6 -0.696983165890E+03 -0.19924E-04 -0.27386E-04118477 0.355E-02 0.117E-02
RMM: 7 -0.696983171029E+03 -0.51387E-05 -0.61029E-05 95751 0.156E-02
136 F= -.69698317E+03 E0= -.69699140E+03 d E =-.320187E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696983265704E+03 -0.99814E-04 -0.15567E-01125673 0.947E-01 0.894E-02
RMM: 2 -0.696983460904E+03 -0.19520E-03 -0.27023E-03113880 0.118E-01 0.533E-02
RMM: 3 -0.696983471964E+03 -0.11061E-04 -0.34533E-04114429 0.442E-02 0.253E-02
RMM: 4 -0.696983476204E+03 -0.42396E-05 -0.81940E-05110249 0.198E-02
137 F= -.69698348E+03 E0= -.69699171E+03 d E =-.323239E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696992659921E+03 -0.91880E-02 -0.15525E+01113880 0.943E+00 0.907E-01
RMM: 2 -0.697011433200E+03 -0.18773E-01 -0.26240E-01113880 0.117E+00 0.525E-01
RMM: 3 -0.697012329363E+03 -0.89616E-03 -0.33080E-02114357 0.436E-01 0.240E-01
RMM: 4 -0.697012740608E+03 -0.41124E-03 -0.78050E-03116406 0.193E-01 0.735E-02
RMM: 5 -0.697012865012E+03 -0.12440E-03 -0.14770E-03122061 0.802E-02 0.400E-02
RMM: 6 -0.697012885115E+03 -0.20103E-04 -0.25849E-04118785 0.344E-02 0.103E-02
RMM: 7 -0.697012889905E+03 -0.47897E-05 -0.55864E-05 94086 0.152E-02
138 F= -.69701289E+03 E0= -.69702125E+03 d E =-.294137E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697012935056E+03 -0.49941E-04 -0.52397E-02131325 0.548E-01 0.524E-02
RMM: 2 -0.697013000108E+03 -0.65052E-04 -0.90420E-04113880 0.687E-02 0.307E-02
RMM: 3 -0.697013003285E+03 -0.31772E-05 -0.11722E-04114461 0.258E-02 0.140E-02
RMM: 4 -0.697013004668E+03 -0.13828E-05 -0.27241E-05 76672 0.115E-02
139 F= -.69701300E+03 E0= -.69702137E+03 d E =-.295285E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697022376624E+03 -0.93733E-02 -0.15043E+01113880 0.931E+00 0.884E-01
RMM: 2 -0.697039577721E+03 -0.17201E-01 -0.24920E-01113880 0.115E+00 0.525E-01
RMM: 3 -0.697040327863E+03 -0.75014E-03 -0.31239E-02113880 0.427E-01 0.252E-01
RMM: 4 -0.697040688799E+03 -0.36094E-03 -0.74610E-03114749 0.192E-01 0.781E-02
RMM: 5 -0.697040828838E+03 -0.14004E-03 -0.16316E-03123454 0.820E-02 0.425E-02
RMM: 6 -0.697040847999E+03 -0.19161E-04 -0.25949E-04117628 0.349E-02 0.120E-02
RMM: 7 -0.697040852601E+03 -0.46027E-05 -0.57595E-05 94950 0.155E-02
140 F= -.69704085E+03 E0= -.69704908E+03 d E =-.278479E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697040909823E+03 -0.61825E-04 -0.76198E-02128850 0.662E-01 0.626E-02
RMM: 2 -0.697040997225E+03 -0.87402E-04 -0.12709E-03113880 0.820E-02 0.374E-02
RMM: 3 -0.697041000975E+03 -0.37494E-05 -0.16261E-04113882 0.308E-02 0.177E-02
RMM: 4 -0.697041003087E+03 -0.21123E-05 -0.39647E-05 90535 0.139E-02
141 F= -.69704100E+03 E0= -.69704922E+03 d E =-.279984E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697046959235E+03 -0.59583E-02 -0.14611E+01113880 0.918E+00 0.876E-01
RMM: 2 -0.697064995893E+03 -0.18037E-01 -0.25151E-01113880 0.115E+00 0.521E-01
RMM: 3 -0.697065763650E+03 -0.76776E-03 -0.30846E-02114270 0.423E-01 0.244E-01
RMM: 4 -0.697066125115E+03 -0.36147E-03 -0.72523E-03115281 0.189E-01 0.697E-02
RMM: 5 -0.697066250296E+03 -0.12518E-03 -0.14972E-03122826 0.793E-02 0.395E-02
RMM: 6 -0.697066267474E+03 -0.17178E-04 -0.24090E-04117287 0.337E-02 0.103E-02
RMM: 7 -0.697066272091E+03 -0.46168E-05 -0.56915E-05 92873 0.153E-02
142 F= -.69706627E+03 E0= -.69707440E+03 d E =-.252690E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697066289031E+03 -0.21557E-04 -0.17765E-02133107 0.320E-01 0.306E-02
RMM: 2 -0.697066311422E+03 -0.22391E-04 -0.31168E-04113880 0.404E-02 0.184E-02
RMM: 3 -0.697066312441E+03 -0.10182E-05 -0.40538E-05 88261 0.152E-02
143 F= -.69706631E+03 E0= -.69707444E+03 d E =-.253094E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697075174800E+03 -0.88634E-02 -0.12526E+01113892 0.848E+00 0.814E-01
RMM: 2 -0.697089228237E+03 -0.14053E-01 -0.20501E-01113880 0.105E+00 0.486E-01
RMM: 3 -0.697089648451E+03 -0.42021E-03 -0.25980E-02114090 0.391E-01 0.210E-01
RMM: 4 -0.697090003489E+03 -0.35504E-03 -0.61070E-03115934 0.173E-01 0.677E-02
RMM: 5 -0.697090100989E+03 -0.97499E-04 -0.12052E-03122022 0.725E-02 0.375E-02
RMM: 6 -0.697090116593E+03 -0.15604E-04 -0.20363E-04116306 0.313E-02 0.930E-03
RMM: 7 -0.697090120752E+03 -0.41587E-05 -0.49053E-05 90684 0.145E-02
144 F= -.69709012E+03 E0= -.69709837E+03 d E =-.238083E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697090181745E+03 -0.65152E-04 -0.69879E-02129480 0.633E-01 0.605E-02
RMM: 2 -0.697090261535E+03 -0.79790E-04 -0.11610E-03113880 0.786E-02 0.364E-02
RMM: 3 -0.697090263844E+03 -0.23091E-05 -0.15059E-04114126 0.297E-02 0.156E-02
RMM: 4 -0.697090265962E+03 -0.21179E-05 -0.35880E-05 85555 0.132E-02
145 F= -.69709027E+03 E0= -.69709853E+03 d E =-.239535E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697099799886E+03 -0.95360E-02 -0.11982E+01113892 0.829E+00 0.803E-01
RMM: 2 -0.697112202677E+03 -0.12403E-01 -0.19061E-01113880 0.101E+00 0.487E-01
RMM: 3 -0.697112525199E+03 -0.32252E-03 -0.25057E-02113883 0.383E-01 0.210E-01
RMM: 4 -0.697112910971E+03 -0.38577E-03 -0.61166E-03116226 0.172E-01 0.704E-02
RMM: 5 -0.697113006455E+03 -0.95484E-04 -0.12081E-03121757 0.718E-02 0.381E-02
RMM: 6 -0.697113023265E+03 -0.16810E-04 -0.20728E-04116720 0.314E-02 0.100E-02
RMM: 7 -0.697113027336E+03 -0.40708E-05 -0.48050E-05 88241 0.142E-02
146 F= -.69711303E+03 E0= -.69712107E+03 d E =-.227614E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697113098349E+03 -0.75084E-04 -0.77036E-02128310 0.664E-01 0.642E-02
RMM: 2 -0.697113177131E+03 -0.78781E-04 -0.12286E-03113880 0.811E-02 0.390E-02
RMM: 3 -0.697113179056E+03 -0.19246E-05 -0.16585E-04113885 0.311E-02 0.163E-02
RMM: 4 -0.697113181915E+03 -0.28596E-05 -0.40953E-05 91408 0.140E-02
147 F= -.69711318E+03 E0= -.69712121E+03 d E =-.229160E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697116829945E+03 -0.36509E-02 -0.10247E+01113886 0.768E+00 0.749E-01
RMM: 2 -0.697128125168E+03 -0.11295E-01 -0.17086E-01113880 0.956E-01 0.453E-01
RMM: 3 -0.697128379318E+03 -0.25415E-03 -0.22835E-02114353 0.364E-01 0.195E-01
RMM: 4 -0.697128707187E+03 -0.32787E-03 -0.55338E-03117920 0.162E-01 0.658E-02
RMM: 5 -0.697128776150E+03 -0.68963E-04 -0.92357E-04119968 0.654E-02 0.352E-02
RMM: 6 -0.697128790241E+03 -0.14091E-04 -0.18221E-04116057 0.295E-02 0.822E-03
RMM: 7 -0.697128793536E+03 -0.32952E-05 -0.40239E-05 85191 0.132E-02
148 F= -.69712879E+03 E0= -.69713669E+03 d E =-.156116E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697128915671E+03 -0.12543E-03 -0.15341E-01120120 0.940E-01 0.915E-02
RMM: 2 -0.697129082810E+03 -0.16714E-03 -0.25385E-03113880 0.116E-01 0.554E-02
RMM: 3 -0.697129086084E+03 -0.32735E-05 -0.33339E-04114305 0.440E-02 0.240E-02
RMM: 4 -0.697129090595E+03 -0.45112E-05 -0.79599E-05109475 0.196E-02
149 F= -.69712909E+03 E0= -.69713700E+03 d E =-.159087E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697137236404E+03 -0.81503E-02 -0.67810E+00113892 0.624E+00 0.608E-01
RMM: 2 -0.697144226252E+03 -0.69898E-02 -0.10833E-01113880 0.766E-01 0.364E-01
RMM: 3 -0.697144363024E+03 -0.13677E-03 -0.14346E-02114016 0.291E-01 0.155E-01
RMM: 4 -0.697144560528E+03 -0.19750E-03 -0.33850E-03116115 0.129E-01 0.528E-02
RMM: 5 -0.697144610491E+03 -0.49963E-04 -0.65736E-04121513 0.537E-02 0.281E-02
RMM: 6 -0.697144619689E+03 -0.91978E-05 -0.11792E-04108933 0.239E-02 0.715E-03
RMM: 7 -0.697144621881E+03 -0.21924E-05 -0.28630E-05 81650 0.111E-02
150 F= -.69714462E+03 E0= -.69715250E+03 d E =-.155313E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697144734079E+03 -0.11439E-03 -0.12421E-01124917 0.844E-01 0.823E-02
RMM: 2 -0.697144863254E+03 -0.12918E-03 -0.19970E-03113880 0.104E-01 0.495E-02
RMM: 3 -0.697144866013E+03 -0.27591E-05 -0.26945E-04114023 0.398E-02 0.208E-02
RMM: 4 -0.697144870058E+03 -0.40451E-05 -0.64099E-05105055 0.177E-02
151 F= -.69714487E+03 E0= -.69715274E+03 d E =-.157795E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697152987157E+03 -0.81211E-02 -0.61834E+00113892 0.595E+00 0.588E-01
RMM: 2 -0.697159203842E+03 -0.62167E-02 -0.98095E-02113880 0.732E-01 0.348E-01
RMM: 3 -0.697159396609E+03 -0.19277E-03 -0.13231E-02114019 0.279E-01 0.151E-01
RMM: 4 -0.697159594566E+03 -0.19796E-03 -0.32085E-03115880 0.125E-01 0.491E-02
RMM: 5 -0.697159646858E+03 -0.52292E-04 -0.64615E-04121748 0.526E-02 0.257E-02
RMM: 6 -0.697159655989E+03 -0.91313E-05 -0.11074E-04109576 0.229E-02 0.725E-03
RMM: 7 -0.697159658114E+03 -0.21246E-05 -0.24376E-05 78854 0.102E-02
152 F= -.69715966E+03 E0= -.69716712E+03 d E =-.147881E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697159881259E+03 -0.22527E-03 -0.23717E-01120156 0.116E+00 0.115E-01
RMM: 2 -0.697160116852E+03 -0.23559E-03 -0.37571E-03113880 0.143E-01 0.678E-02
RMM: 3 -0.697160123895E+03 -0.70433E-05 -0.51273E-04114026 0.549E-02 0.291E-02
RMM: 4 -0.697160131821E+03 -0.79260E-05 -0.12438E-04114686 0.245E-02 0.945E-03
RMM: 5 -0.697160133810E+03 -0.19892E-05 -0.23869E-05 76215 0.105E-02
153 F= -.69716013E+03 E0= -.69716750E+03 d E =-.152638E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697166162343E+03 -0.60305E-02 -0.51579E+00113880 0.542E+00 0.539E-01
RMM: 2 -0.697171686636E+03 -0.55243E-02 -0.85055E-02113880 0.680E-01 0.315E-01
RMM: 3 -0.697171852514E+03 -0.16588E-03 -0.11635E-02114315 0.261E-01 0.137E-01
RMM: 4 -0.697172012659E+03 -0.16014E-03 -0.27504E-03117514 0.115E-01 0.489E-02
RMM: 5 -0.697172047132E+03 -0.34474E-04 -0.46961E-04120104 0.470E-02 0.244E-02
RMM: 6 -0.697172054524E+03 -0.73918E-05 -0.94640E-05109759 0.212E-02
154 F= -.69717205E+03 E0= -.69717944E+03 d E =-.119207E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697172133401E+03 -0.86269E-04 -0.54609E-02126951 0.557E-01 0.554E-02
RMM: 2 -0.697172194206E+03 -0.60805E-04 -0.92268E-04113880 0.708E-02 0.328E-02
RMM: 3 -0.697172196352E+03 -0.21462E-05 -0.12926E-04114356 0.274E-02 0.145E-02
RMM: 4 -0.697172198086E+03 -0.17343E-05 -0.30645E-05 78140 0.121E-02
155 F= -.69717220E+03 E0= -.69717958E+03 d E =-.120643E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697178738515E+03 -0.65422E-02 -0.50815E+00113880 0.537E+00 0.526E-01
RMM: 2 -0.697183929331E+03 -0.51908E-02 -0.81850E-02113880 0.668E-01 0.310E-01
RMM: 3 -0.697184095211E+03 -0.16588E-03 -0.11075E-02113937 0.256E-01 0.136E-01
RMM: 4 -0.697184259969E+03 -0.16476E-03 -0.27080E-03116687 0.114E-01 0.476E-02
RMM: 5 -0.697184300106E+03 -0.40137E-04 -0.50385E-04120712 0.478E-02 0.253E-02
RMM: 6 -0.697184307926E+03 -0.78197E-05 -0.93607E-05108493 0.213E-02
156 F= -.69718431E+03 E0= -.69719158E+03 d E =-.121098E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697184570995E+03 -0.27089E-03 -0.25830E-01120084 0.121E+00 0.118E-01
RMM: 2 -0.697184837395E+03 -0.26640E-03 -0.41924E-03113880 0.151E-01 0.702E-02
RMM: 3 -0.697184846187E+03 -0.87916E-05 -0.57416E-04113928 0.583E-02 0.307E-02
RMM: 4 -0.697184855223E+03 -0.90365E-05 -0.14249E-04117043 0.260E-02 0.107E-02
RMM: 5 -0.697184857239E+03 -0.20155E-05 -0.24893E-05 76508 0.109E-02
157 F= -.69718486E+03 E0= -.69719210E+03 d E =-.126592E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697190550202E+03 -0.56950E-02 -0.53187E+00113880 0.548E+00 0.537E-01
RMM: 2 -0.697195926987E+03 -0.53768E-02 -0.86383E-02113880 0.686E-01 0.315E-01
RMM: 3 -0.697196085615E+03 -0.15863E-03 -0.11690E-02114226 0.262E-01 0.143E-01
RMM: 4 -0.697196241684E+03 -0.15607E-03 -0.28766E-03115933 0.118E-01 0.459E-02
RMM: 5 -0.697196286021E+03 -0.44336E-04 -0.55992E-04121397 0.494E-02 0.247E-02
RMM: 6 -0.697196293776E+03 -0.77558E-05 -0.95981E-05109755 0.216E-02
158 F= -.69719629E+03 E0= -.69720308E+03 d E =-.114365E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697196436832E+03 -0.15081E-03 -0.12858E-01124017 0.852E-01 0.832E-02
RMM: 2 -0.697196569122E+03 -0.13229E-03 -0.21168E-03113880 0.107E-01 0.492E-02
RMM: 3 -0.697196573322E+03 -0.42000E-05 -0.29147E-04114285 0.413E-02 0.224E-02
RMM: 4 -0.697196577479E+03 -0.41570E-05 -0.72961E-05109243 0.186E-02
159 F= -.69719658E+03 E0= -.69720329E+03 d E =-.117202E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697200706666E+03 -0.41333E-02 -0.47898E+00113880 0.519E+00 0.510E-01
RMM: 2 -0.697205580401E+03 -0.48737E-02 -0.77391E-02113880 0.649E-01 0.303E-01
RMM: 3 -0.697205711964E+03 -0.13156E-03 -0.10459E-02114487 0.247E-01 0.142E-01
RMM: 4 -0.697205818720E+03 -0.10676E-03 -0.24492E-03115701 0.110E-01 0.462E-02
RMM: 5 -0.697205857623E+03 -0.38903E-04 -0.49096E-04122157 0.464E-02 0.243E-02
RMM: 6 -0.697205863584E+03 -0.59609E-05 -0.83996E-05107704 0.204E-02
160 F= -.69720586E+03 E0= -.69721268E+03 d E =-.928611E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697205907466E+03 -0.49843E-04 -0.29693E-02127608 0.409E-01 0.399E-02
RMM: 2 -0.697205939111E+03 -0.31645E-04 -0.49886E-04113880 0.520E-02 0.239E-02
RMM: 3 -0.697205940256E+03 -0.11449E-05 -0.69788E-05111632 0.200E-02
161 F= -.69720594E+03 E0= -.69721276E+03 d E =-.936278E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697209174597E+03 -0.32355E-02 -0.44833E+00113886 0.503E+00 0.489E-01
RMM: 2 -0.697213531764E+03 -0.43572E-02 -0.71111E-02113880 0.624E-01 0.288E-01
RMM: 3 -0.697213638767E+03 -0.10700E-03 -0.97057E-03113999 0.240E-01 0.133E-01
RMM: 4 -0.697213775645E+03 -0.13688E-03 -0.24582E-03116560 0.108E-01 0.450E-02
RMM: 5 -0.697213811297E+03 -0.35651E-04 -0.45751E-04120659 0.451E-02 0.236E-02
RMM: 6 -0.697213818073E+03 -0.67763E-05 -0.81838E-05107676 0.198E-02
162 F= -.69721382E+03 E0= -.69722046E+03 d E =-.787782E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697213828986E+03 -0.17689E-04 -0.36337E-03131820 0.143E-01 0.142E-02
RMM: 2 -0.697213832841E+03 -0.38554E-05 -0.63947E-05111422 0.187E-02
163 F= -.69721383E+03 E0= -.69722047E+03 d E =-.789259E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697217642541E+03 -0.38136E-02 -0.37225E+00113886 0.459E+00 0.444E-01
RMM: 2 -0.697221258935E+03 -0.36164E-02 -0.58343E-02113880 0.566E-01 0.259E-01
RMM: 3 -0.697221374855E+03 -0.11592E-03 -0.80383E-03114408 0.218E-01 0.119E-01
RMM: 4 -0.697221483480E+03 -0.10863E-03 -0.19757E-03117082 0.972E-02 0.381E-02
RMM: 5 -0.697221511097E+03 -0.27616E-04 -0.35189E-04120436 0.402E-02 0.203E-02
RMM: 6 -0.697221516256E+03 -0.51594E-05 -0.65473E-05103241 0.178E-02
164 F= -.69722152E+03 E0= -.69722793E+03 d E =-.768342E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697221655733E+03 -0.14464E-03 -0.14823E-01120048 0.915E-01 0.880E-02
RMM: 2 -0.697221802999E+03 -0.14727E-03 -0.23501E-03113880 0.114E-01 0.517E-02
RMM: 3 -0.697221808253E+03 -0.52545E-05 -0.32731E-04114472 0.438E-02 0.239E-02
RMM: 4 -0.697221812775E+03 -0.45219E-05 -0.81283E-05112079 0.196E-02
165 F= -.69722181E+03 E0= -.69722819E+03 d E =-.797993E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697224879246E+03 -0.30710E-02 -0.36770E+00113886 0.457E+00 0.445E-01
RMM: 2 -0.697228600447E+03 -0.37212E-02 -0.59284E-02113880 0.568E-01 0.263E-01
RMM: 3 -0.697228737166E+03 -0.13672E-03 -0.81237E-03114437 0.218E-01 0.127E-01
RMM: 4 -0.697228817279E+03 -0.80113E-04 -0.19542E-03115883 0.979E-02 0.403E-02
RMM: 5 -0.697228851725E+03 -0.34446E-04 -0.39418E-04122821 0.416E-02 0.219E-02
RMM: 6 -0.697228856378E+03 -0.46531E-05 -0.63971E-05102984 0.180E-02
166 F= -.69722886E+03 E0= -.69723535E+03 d E =-.704360E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697228902381E+03 -0.50656E-04 -0.32510E-02127698 0.430E-01 0.416E-02
RMM: 2 -0.697228935938E+03 -0.33558E-04 -0.53738E-04113880 0.540E-02 0.248E-02
RMM: 3 -0.697228937365E+03 -0.14264E-05 -0.75945E-05113521 0.209E-02
167 F= -.69722894E+03 E0= -.69723544E+03 d E =-.712459E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697231519896E+03 -0.25840E-02 -0.35767E+00113892 0.452E+00 0.440E-01
RMM: 2 -0.697235004429E+03 -0.34845E-02 -0.56123E-02113880 0.556E-01 0.255E-01
RMM: 3 -0.697235186522E+03 -0.18209E-03 -0.78381E-03114279 0.214E-01 0.120E-01
RMM: 4 -0.697235296379E+03 -0.10986E-03 -0.19486E-03116745 0.967E-02 0.379E-02
RMM: 5 -0.697235326103E+03 -0.29724E-04 -0.36489E-04121682 0.404E-02 0.197E-02
RMM: 6 -0.697235331228E+03 -0.51247E-05 -0.62927E-05101286 0.175E-02
168 F= -.69723533E+03 E0= -.69724175E+03 d E =-.639386E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697235375582E+03 -0.49479E-04 -0.35873E-02126636 0.452E-01 0.438E-02
RMM: 2 -0.697235411317E+03 -0.35735E-04 -0.57319E-04113880 0.561E-02 0.256E-02
RMM: 3 -0.697235413358E+03 -0.20415E-05 -0.82404E-05114097 0.219E-02
169 F= -.69723541E+03 E0= -.69724183E+03 d E =-.647599E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697237912238E+03 -0.25009E-02 -0.34426E+00113886 0.443E+00 0.430E-01
RMM: 2 -0.697241313962E+03 -0.34017E-02 -0.53567E-02113880 0.542E-01 0.252E-01
RMM: 3 -0.697241463137E+03 -0.14917E-03 -0.75765E-03114312 0.210E-01 0.115E-01
RMM: 4 -0.697241572205E+03 -0.10907E-03 -0.18909E-03116906 0.948E-02 0.377E-02
RMM: 5 -0.697241601140E+03 -0.28934E-04 -0.34950E-04121604 0.397E-02 0.205E-02
RMM: 6 -0.697241605862E+03 -0.47222E-05 -0.60339E-05100855 0.172E-02
170 F= -.69724161E+03 E0= -.69724796E+03 d E =-.619250E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697241656916E+03 -0.55776E-04 -0.39854E-02125484 0.477E-01 0.460E-02
RMM: 2 -0.697241697635E+03 -0.40719E-04 -0.63261E-04113880 0.589E-02 0.272E-02
RMM: 3 -0.697241699736E+03 -0.21010E-05 -0.91692E-05114372 0.230E-02
171 F= -.69724170E+03 E0= -.69724805E+03 d E =-.628638E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697244104002E+03 -0.24064E-02 -0.32387E+00113880 0.431E+00 0.414E-01
RMM: 2 -0.697247398015E+03 -0.32940E-02 -0.50021E-02113880 0.523E-01 0.245E-01
RMM: 3 -0.697247523460E+03 -0.12545E-03 -0.70360E-03114246 0.203E-01 0.107E-01
RMM: 4 -0.697247632473E+03 -0.10901E-03 -0.17543E-03117552 0.910E-02 0.363E-02
RMM: 5 -0.697247659226E+03 -0.26753E-04 -0.31180E-04121398 0.379E-02 0.203E-02
RMM: 6 -0.697247663876E+03 -0.46503E-05 -0.55707E-05 97739 0.166E-02
172 F= -.69724766E+03 E0= -.69725398E+03 d E =-.596414E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697247727810E+03 -0.68583E-04 -0.58539E-02124197 0.579E-01 0.554E-02
RMM: 2 -0.697247787852E+03 -0.60042E-04 -0.91443E-04113880 0.707E-02 0.331E-02
RMM: 3 -0.697247790397E+03 -0.25451E-05 -0.13144E-04114332 0.276E-02 0.145E-02
RMM: 4 -0.697247792594E+03 -0.21977E-05 -0.32780E-05 80091 0.124E-02
173 F= -.69724779E+03 E0= -.69725411E+03 d E =-.609286E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697250772948E+03 -0.29826E-02 -0.26693E+00113880 0.391E+00 0.375E-01
RMM: 2 -0.697253355434E+03 -0.25825E-02 -0.39867E-02113880 0.469E-01 0.219E-01
RMM: 3 -0.697253469029E+03 -0.11360E-03 -0.56107E-03114191 0.181E-01 0.929E-02
RMM: 4 -0.697253568064E+03 -0.99034E-04 -0.14050E-03117829 0.809E-02 0.316E-02
RMM: 5 -0.697253587098E+03 -0.19034E-04 -0.24244E-04120698 0.336E-02 0.170E-02
RMM: 6 -0.697253590719E+03 -0.36209E-05 -0.45148E-05 90178 0.148E-02
174 F= -.69725359E+03 E0= -.69725988E+03 d E =-.579812E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697253782812E+03 -0.19571E-03 -0.23490E-01117750 0.116E+00 0.111E-01
RMM: 2 -0.697254011981E+03 -0.22917E-03 -0.35333E-03113880 0.139E-01 0.651E-02
RMM: 3 -0.697254022572E+03 -0.10591E-04 -0.50220E-04114231 0.542E-02 0.276E-02
RMM: 4 -0.697254031617E+03 -0.90446E-05 -0.12629E-04117080 0.242E-02 0.948E-03
RMM: 5 -0.697254033158E+03 -0.15409E-05 -0.20393E-05 74433 0.100E-02
175 F= -.69725403E+03 E0= -.69726032E+03 d E =-.624056E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697256543340E+03 -0.25117E-02 -0.22538E+00113880 0.360E+00 0.345E-01
RMM: 2 -0.697258781349E+03 -0.22380E-02 -0.35086E-02113880 0.437E-01 0.202E-01
RMM: 3 -0.697258870666E+03 -0.89317E-04 -0.47943E-03114069 0.168E-01 0.933E-02
RMM: 4 -0.697258937441E+03 -0.66775E-04 -0.12127E-03116294 0.759E-02 0.301E-02
RMM: 5 -0.697258957627E+03 -0.20186E-04 -0.23799E-04121949 0.322E-02 0.172E-02
RMM: 6 -0.697258960505E+03 -0.28773E-05 -0.38717E-05 88335 0.138E-02
176 F= -.69725896E+03 E0= -.69726530E+03 d E =-.492735E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697259049517E+03 -0.91890E-04 -0.83827E-02122523 0.695E-01 0.665E-02
RMM: 2 -0.697259133858E+03 -0.84340E-04 -0.13145E-03113880 0.846E-02 0.391E-02
RMM: 3 -0.697259137617E+03 -0.37590E-05 -0.18252E-04114223 0.326E-02 0.182E-02
RMM: 4 -0.697259140271E+03 -0.26542E-05 -0.46133E-05 94539 0.147E-02
177 F= -.69725914E+03 E0= -.69726549E+03 d E =-.510711E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697260684282E+03 -0.15467E-02 -0.24272E+00113880 0.375E+00 0.352E-01
RMM: 2 -0.697263267261E+03 -0.25830E-02 -0.38090E-02113880 0.454E-01 0.207E-01
RMM: 3 -0.697263382939E+03 -0.11568E-03 -0.50173E-03113946 0.173E-01 0.964E-02
RMM: 4 -0.697263453745E+03 -0.70806E-04 -0.12494E-03116710 0.773E-02 0.319E-02
RMM: 5 -0.697263474058E+03 -0.20312E-04 -0.23945E-04121957 0.323E-02 0.174E-02
RMM: 6 -0.697263477175E+03 -0.31171E-05 -0.39522E-05 87994 0.140E-02
178 F= -.69726348E+03 E0= -.69726971E+03 d E =-.433690E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697263510334E+03 -0.36277E-04 -0.32651E-02125115 0.435E-01 0.407E-02
RMM: 2 -0.697263545531E+03 -0.35197E-04 -0.51923E-04113880 0.530E-02 0.242E-02
RMM: 3 -0.697263547320E+03 -0.17884E-05 -0.70725E-05109035 0.204E-02
179 F= -.69726355E+03 E0= -.69726977E+03 d E =-.440705E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697265102636E+03 -0.15571E-02 -0.17356E+00113886 0.317E+00 0.295E-01
RMM: 2 -0.697267005493E+03 -0.19029E-02 -0.27766E-02113880 0.387E-01 0.172E-01
RMM: 3 -0.697267094992E+03 -0.89499E-04 -0.36238E-03114074 0.147E-01 0.741E-02
RMM: 4 -0.697267151936E+03 -0.56943E-04 -0.88664E-04116985 0.653E-02 0.227E-02
RMM: 5 -0.697267164896E+03 -0.12961E-04 -0.16235E-04120290 0.271E-02 0.126E-02
RMM: 6 -0.697267167184E+03 -0.22876E-05 -0.28791E-05 81851 0.119E-02
180 F= -.69726717E+03 E0= -.69727339E+03 d E =-.361986E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697267218278E+03 -0.53382E-04 -0.54574E-02121182 0.562E-01 0.521E-02
RMM: 2 -0.697267278821E+03 -0.60543E-04 -0.88076E-04113880 0.689E-02 0.304E-02
RMM: 3 -0.697267281742E+03 -0.29208E-05 -0.11645E-04114183 0.263E-02 0.132E-02
RMM: 4 -0.697267283542E+03 -0.17999E-05 -0.28150E-05 77644 0.117E-02
181 F= -.69726728E+03 E0= -.69727351E+03 d E =-.373622E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697268841824E+03 -0.15601E-02 -0.18345E+00113904 0.325E+00 0.303E-01
RMM: 2 -0.697270817114E+03 -0.19753E-02 -0.29429E-02113880 0.399E-01 0.177E-01
RMM: 3 -0.697270901812E+03 -0.84698E-04 -0.37955E-03113910 0.151E-01 0.799E-02
RMM: 4 -0.697270958267E+03 -0.56455E-04 -0.91914E-04116302 0.668E-02 0.266E-02
RMM: 5 -0.697270973275E+03 -0.15008E-04 -0.17654E-04120507 0.281E-02 0.148E-02
RMM: 6 -0.697270975816E+03 -0.25415E-05 -0.31286E-05 84108 0.124E-02
182 F= -.69727098E+03 E0= -.69727722E+03 d E =-.369227E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697271046142E+03 -0.72867E-04 -0.10399E-01119940 0.773E-01 0.718E-02
RMM: 2 -0.697271158336E+03 -0.11219E-03 -0.16729E-03113880 0.951E-02 0.422E-02
RMM: 3 -0.697271163384E+03 -0.50484E-05 -0.21877E-04113934 0.361E-02 0.191E-02
RMM: 4 -0.697271166776E+03 -0.33919E-05 -0.53478E-05100329 0.160E-02
183 F= -.69727117E+03 E0= -.69727741E+03 d E =-.388323E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697272846249E+03 -0.16829E-02 -0.15112E+00113904 0.295E+00 0.275E-01
RMM: 2 -0.697274585323E+03 -0.17391E-02 -0.24890E-02113880 0.366E-01 0.162E-01
RMM: 3 -0.697274657266E+03 -0.71943E-04 -0.30599E-03113902 0.136E-01 0.764E-02
RMM: 4 -0.697274695413E+03 -0.38147E-04 -0.74376E-04115642 0.607E-02 0.244E-02
RMM: 5 -0.697274708340E+03 -0.12928E-04 -0.15162E-04120452 0.254E-02 0.137E-02
RMM: 6 -0.697274710147E+03 -0.18066E-05 -0.23873E-05 77273 0.110E-02
184 F= -.69727471E+03 E0= -.69728085E+03 d E =-.354337E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697274843393E+03 -0.13505E-03 -0.30984E-01114216 0.133E+00 0.124E-01
RMM: 2 -0.697275199458E+03 -0.35607E-03 -0.51131E-03113880 0.166E-01 0.730E-02
RMM: 3 -0.697275213932E+03 -0.14475E-04 -0.63023E-04113904 0.618E-02 0.346E-02
RMM: 4 -0.697275221757E+03 -0.78246E-05 -0.15373E-04115690 0.276E-02 0.111E-02
RMM: 5 -0.697275224251E+03 -0.24940E-05 -0.29503E-05 78683 0.115E-02
185 F= -.69727522E+03 E0= -.69728132E+03 d E =-.405748E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697276645894E+03 -0.14241E-02 -0.18811E+00113892 0.328E+00 0.308E-01
RMM: 2 -0.697278827975E+03 -0.21821E-02 -0.31755E-02113880 0.413E-01 0.176E-01
RMM: 3 -0.697278940675E+03 -0.11270E-03 -0.39349E-03114278 0.154E-01 0.816E-02
RMM: 4 -0.697278991531E+03 -0.50857E-04 -0.91814E-04115236 0.679E-02 0.236E-02
RMM: 5 -0.697279006846E+03 -0.15315E-04 -0.18635E-04121341 0.286E-02 0.139E-02
RMM: 6 -0.697279009165E+03 -0.23184E-05 -0.29935E-05 82995 0.122E-02
186 F= -.69727901E+03 E0= -.69728520E+03 d E =-.378491E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697279092852E+03 -0.86005E-04 -0.23613E-01116262 0.116E+00 0.109E-01
RMM: 2 -0.697279368438E+03 -0.27559E-03 -0.40015E-03113880 0.147E-01 0.623E-02
RMM: 3 -0.697279382856E+03 -0.14418E-04 -0.49755E-04114301 0.547E-02 0.291E-02
RMM: 4 -0.697279389402E+03 -0.65456E-05 -0.11655E-04114900 0.241E-02 0.842E-03
RMM: 5 -0.697279391174E+03 -0.17721E-05 -0.21910E-05 76231 0.101E-02
187 F= -.69727939E+03 E0= -.69728562E+03 d E =-.416692E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697280702147E+03 -0.13127E-02 -0.18874E+00113892 0.328E+00 0.305E-01
RMM: 2 -0.697282764431E+03 -0.20623E-02 -0.30547E-02113880 0.407E-01 0.180E-01
RMM: 3 -0.697282854247E+03 -0.89816E-04 -0.37505E-03113880 0.151E-01 0.877E-02
RMM: 4 -0.697282900169E+03 -0.45921E-04 -0.91702E-04115182 0.678E-02 0.270E-02
RMM: 5 -0.697282917072E+03 -0.16903E-04 -0.19178E-04121607 0.289E-02 0.153E-02
RMM: 6 -0.697282919301E+03 -0.22291E-05 -0.30887E-05 83335 0.126E-02
188 F= -.69728292E+03 E0= -.69728921E+03 d E =-.352813E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697283003868E+03 -0.86796E-04 -0.25924E-01115050 0.122E+00 0.113E-01
RMM: 2 -0.697283288071E+03 -0.28420E-03 -0.42115E-03113880 0.151E-01 0.668E-02
RMM: 3 -0.697283300462E+03 -0.12391E-04 -0.51963E-04113881 0.563E-02 0.326E-02
RMM: 4 -0.697283306961E+03 -0.64992E-05 -0.12787E-04115128 0.252E-02 0.101E-02
RMM: 5 -0.697283309119E+03 -0.21586E-05 -0.24772E-05 76584 0.107E-02
189 F= -.69728331E+03 E0= -.69728962E+03 d E =-.391795E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697283827884E+03 -0.52092E-03 -0.21597E+00113892 0.350E+00 0.325E-01
RMM: 2 -0.697286323905E+03 -0.24960E-02 -0.36049E-02113880 0.442E-01 0.187E-01
RMM: 3 -0.697286432817E+03 -0.10891E-03 -0.45094E-03114787 0.164E-01 0.876E-02
RMM: 4 -0.697286483347E+03 -0.50530E-04 -0.10249E-03115546 0.721E-02 0.252E-02
RMM: 5 -0.697286500168E+03 -0.16821E-04 -0.19946E-04120789 0.301E-02 0.143E-02
RMM: 6 -0.697286502692E+03 -0.25236E-05 -0.32853E-05 84542 0.130E-02
190 F= -.69728650E+03 E0= -.69729279E+03 d E =-.319357E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697286534727E+03 -0.34559E-04 -0.80136E-02121434 0.675E-01 0.625E-02
RMM: 2 -0.697286628349E+03 -0.93622E-04 -0.13518E-03113880 0.855E-02 0.361E-02
RMM: 3 -0.697286632688E+03 -0.43394E-05 -0.17188E-04115043 0.319E-02 0.170E-02
RMM: 4 -0.697286634627E+03 -0.19393E-05 -0.38726E-05 85919 0.140E-02
191 F= -.69728663E+03 E0= -.69729291E+03 d E =-.332551E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697287434827E+03 -0.80214E-03 -0.18601E+00113892 0.324E+00 0.301E-01
RMM: 2 -0.697289468780E+03 -0.20340E-02 -0.30227E-02113880 0.405E-01 0.176E-01
RMM: 3 -0.697289549538E+03 -0.80758E-04 -0.37562E-03114292 0.151E-01 0.835E-02
RMM: 4 -0.697289595981E+03 -0.46443E-04 -0.88552E-04115041 0.669E-02 0.248E-02
RMM: 5 -0.697289611682E+03 -0.15700E-04 -0.18062E-04121055 0.283E-02 0.139E-02
RMM: 6 -0.697289613925E+03 -0.22428E-05 -0.29467E-05 81368 0.123E-02
192 F= -.69728961E+03 E0= -.69729600E+03 d E =-.297930E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697289646149E+03 -0.34467E-04 -0.25021E-01114504 0.119E+00 0.110E-01
RMM: 2 -0.697289920169E+03 -0.27402E-03 -0.40856E-03113880 0.149E-01 0.643E-02
RMM: 3 -0.697289931040E+03 -0.10871E-04 -0.51032E-04114338 0.556E-02 0.306E-02
RMM: 4 -0.697289937285E+03 -0.62453E-05 -0.12032E-04114525 0.246E-02 0.912E-03
RMM: 5 -0.697289939276E+03 -0.19913E-05 -0.22999E-05 76496 0.104E-02
193 F= -.69728994E+03 E0= -.69729636E+03 d E =-.330465E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697290810277E+03 -0.87299E-03 -0.17441E+00113886 0.314E+00 0.291E-01
RMM: 2 -0.697292705541E+03 -0.18953E-02 -0.28331E-02113880 0.392E-01 0.173E-01
RMM: 3 -0.697292770072E+03 -0.64531E-04 -0.34609E-03113924 0.146E-01 0.851E-02
RMM: 4 -0.697292808847E+03 -0.38776E-04 -0.85333E-04114870 0.655E-02 0.256E-02
RMM: 5 -0.697292824552E+03 -0.15704E-04 -0.18044E-04121676 0.279E-02 0.147E-02
RMM: 6 -0.697292826490E+03 -0.19385E-05 -0.28094E-05 80223 0.121E-02
194 F= -.69729283E+03 E0= -.69729924E+03 d E =-.288721E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697292879672E+03 -0.55120E-04 -0.14098E-01118536 0.893E-01 0.827E-02
RMM: 2 -0.697293033990E+03 -0.15432E-03 -0.23065E-03113880 0.112E-01 0.492E-02
RMM: 3 -0.697293039265E+03 -0.52751E-05 -0.28351E-04113959 0.416E-02 0.244E-02
RMM: 4 -0.697293042487E+03 -0.32221E-05 -0.70215E-05107540 0.187E-02
195 F= -.69729304E+03 E0= -.69729946E+03 d E =-.310321E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697293527771E+03 -0.48851E-03 -0.19330E+00113886 0.330E+00 0.308E-01
RMM: 2 -0.697295702553E+03 -0.21748E-02 -0.32127E-02113880 0.415E-01 0.176E-01
RMM: 3 -0.697295814381E+03 -0.11183E-03 -0.40233E-03114941 0.154E-01 0.837E-02
RMM: 4 -0.697295859787E+03 -0.45406E-04 -0.89421E-04115116 0.673E-02 0.231E-02
RMM: 5 -0.697295874716E+03 -0.14929E-04 -0.17626E-04120435 0.281E-02 0.131E-02
RMM: 6 -0.697295877010E+03 -0.22938E-05 -0.28573E-05 80798 0.121E-02
196 F= -.69729588E+03 E0= -.69730232E+03 d E =-.283452E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697295910280E+03 -0.35564E-04 -0.19155E-01115350 0.104E+00 0.966E-02
RMM: 2 -0.697296124808E+03 -0.21453E-03 -0.31909E-03113880 0.131E-01 0.550E-02
RMM: 3 -0.697296135792E+03 -0.10984E-04 -0.40279E-04115083 0.487E-02 0.263E-02
RMM: 4 -0.697296140247E+03 -0.44547E-05 -0.88926E-05111724 0.212E-02
197 F= -.69729614E+03 E0= -.69730260E+03 d E =-.309776E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697296583885E+03 -0.44809E-03 -0.20529E+00113880 0.340E+00 0.313E-01
RMM: 2 -0.697298879620E+03 -0.22957E-02 -0.33758E-02113880 0.424E-01 0.186E-01
RMM: 3 -0.697298966068E+03 -0.86449E-04 -0.40933E-03113889 0.157E-01 0.913E-02
RMM: 4 -0.697299014467E+03 -0.48399E-04 -0.10050E-03114546 0.708E-02 0.271E-02
RMM: 5 -0.697299033769E+03 -0.19301E-04 -0.21438E-04122280 0.303E-02 0.158E-02
RMM: 6 -0.697299036132E+03 -0.23632E-05 -0.33286E-05 84608 0.131E-02
198 F= -.69729904E+03 E0= -.69730565E+03 d E =-.289588E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697299069441E+03 -0.35672E-04 -0.17215E-01117006 0.986E-01 0.904E-02
RMM: 2 -0.697299262477E+03 -0.19304E-03 -0.28523E-03113880 0.123E-01 0.538E-02
RMM: 3 -0.697299269574E+03 -0.70968E-05 -0.34756E-04113892 0.458E-02 0.265E-02
RMM: 4 -0.697299273589E+03 -0.40149E-05 -0.85925E-05111815 0.206E-02
199 F= -.69729927E+03 E0= -.69730593E+03 d E =-.313334E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697300018655E+03 -0.74908E-03 -0.15388E+00113880 0.295E+00 0.272E-01
RMM: 2 -0.697301833704E+03 -0.18150E-02 -0.25848E-02113880 0.371E-01 0.158E-01
RMM: 3 -0.697301932182E+03 -0.98478E-04 -0.31702E-03114658 0.137E-01 0.761E-02
RMM: 4 -0.697301970830E+03 -0.38648E-04 -0.73288E-04115549 0.604E-02 0.218E-02
RMM: 5 -0.697301983458E+03 -0.12629E-04 -0.14300E-04120219 0.252E-02 0.125E-02
RMM: 6 -0.697301985148E+03 -0.16900E-05 -0.23025E-05 75658 0.109E-02
200 F= -.69730199E+03 E0= -.69730862E+03 d E =-.271156E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697302055710E+03 -0.72252E-04 -0.47052E-01113946 0.163E+00 0.150E-01
RMM: 2 -0.697302606768E+03 -0.55106E-03 -0.78998E-03113880 0.205E-01 0.869E-02
RMM: 3 -0.697302635645E+03 -0.28877E-04 -0.96907E-04114670 0.758E-02 0.419E-02
RMM: 4 -0.697302647050E+03 -0.11405E-04 -0.22427E-04115536 0.334E-02 0.120E-02
RMM: 5 -0.697302650764E+03 -0.37135E-05 -0.42588E-05 84581 0.140E-02
201 F= -.69730265E+03 E0= -.69730928E+03 d E =-.337717E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697302609916E+03 0.37134E-04 -0.11552E-01118914 0.808E-01 0.743E-02
RMM: 2 -0.697302746473E+03 -0.13656E-03 -0.19534E-03113880 0.102E-01 0.430E-02
RMM: 3 -0.697302754506E+03 -0.80332E-05 -0.24520E-04114745 0.381E-02 0.207E-02
RMM: 4 -0.697302757552E+03 -0.30461E-05 -0.56854E-05100557 0.168E-02
202 F= -.69730276E+03 E0= -.69730938E+03 d E =-.348396E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697303190009E+03 -0.43550E-03 -0.16066E+00113880 0.301E+00 0.279E-01
RMM: 2 -0.697305064568E+03 -0.18746E-02 -0.26996E-02113880 0.377E-01 0.160E-01
RMM: 3 -0.697305183515E+03 -0.11895E-03 -0.33264E-03114489 0.140E-01 0.772E-02
RMM: 4 -0.697305227818E+03 -0.44303E-04 -0.77210E-04115028 0.617E-02 0.220E-02
RMM: 5 -0.697305241423E+03 -0.13605E-04 -0.15621E-04121217 0.262E-02 0.127E-02
RMM: 6 -0.697305243260E+03 -0.18375E-05 -0.25023E-05 77738 0.112E-02
203 F= -.69730524E+03 E0= -.69731190E+03 d E =-.248571E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697305240566E+03 0.85713E-06 -0.49424E-01113940 0.167E+00 0.154E-01
RMM: 2 -0.697305815599E+03 -0.57503E-03 -0.83208E-03113880 0.209E-01 0.883E-02
RMM: 3 -0.697305851576E+03 -0.35978E-04 -0.10268E-03114516 0.777E-02 0.427E-02
RMM: 4 -0.697305864948E+03 -0.13372E-04 -0.23835E-04115065 0.343E-02 0.122E-02
RMM: 5 -0.697305869002E+03 -0.40536E-05 -0.46866E-05 87732 0.145E-02
204 F= -.69730587E+03 E0= -.69731254E+03 d E =-.311145E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697303002306E+03 0.28626E-02 -0.19765E+00113880 0.334E+00 0.309E-01
RMM: 2 -0.697305299411E+03 -0.22971E-02 -0.33220E-02113880 0.419E-01 0.177E-01
RMM: 3 -0.697305446610E+03 -0.14720E-03 -0.41089E-03114498 0.156E-01 0.853E-02
RMM: 4 -0.697305500571E+03 -0.53961E-04 -0.95187E-04114951 0.686E-02 0.245E-02
RMM: 5 -0.697305517517E+03 -0.16946E-04 -0.19386E-04122077 0.292E-02 0.141E-02
RMM: 6 -0.697305519835E+03 -0.23175E-05 -0.31357E-05 83184 0.126E-02
205 F= -.69730552E+03 E0= -.69731222E+03 d E =-.276228E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697304676288E+03 0.84123E-03 -0.10334E+00113880 0.242E+00 0.223E-01
RMM: 2 -0.697305872970E+03 -0.11967E-02 -0.17291E-02113880 0.302E-01 0.128E-01
RMM: 3 -0.697305946608E+03 -0.73638E-04 -0.21129E-03114472 0.112E-01 0.613E-02
RMM: 4 -0.697305973766E+03 -0.27158E-04 -0.48553E-04114678 0.492E-02 0.173E-02
RMM: 5 -0.697305982538E+03 -0.87724E-05 -0.99726E-05113117 0.210E-02
206 F= -.69730598E+03 E0= -.69731266E+03 d E =-.322499E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697306445916E+03 -0.47215E-03 -0.15771E+00113880 0.300E+00 0.279E-01
RMM: 2 -0.697308289858E+03 -0.18439E-02 -0.26693E-02113880 0.375E-01 0.163E-01
RMM: 3 -0.697308392958E+03 -0.10310E-03 -0.31847E-03113882 0.138E-01 0.833E-02
RMM: 4 -0.697308430317E+03 -0.37359E-04 -0.78997E-04114669 0.622E-02 0.246E-02
RMM: 5 -0.697308445871E+03 -0.15554E-04 -0.17124E-04122463 0.268E-02 0.139E-02
RMM: 6 -0.697308447406E+03 -0.15358E-05 -0.26342E-05 78847 0.116E-02
207 F= -.69730845E+03 E0= -.69731523E+03 d E =-.246487E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697308226424E+03 0.21945E-03 -0.54691E-01113910 0.177E+00 0.164E-01
RMM: 2 -0.697308872107E+03 -0.64568E-03 -0.93345E-03113880 0.221E-01 0.962E-02
RMM: 3 -0.697308910243E+03 -0.38136E-04 -0.11282E-03113889 0.820E-02 0.493E-02
RMM: 4 -0.697308923987E+03 -0.13744E-04 -0.28153E-04114816 0.370E-02 0.145E-02
RMM: 5 -0.697308929297E+03 -0.53105E-05 -0.59659E-05 96743 0.160E-02
208 F= -.69730893E+03 E0= -.69731577E+03 d E =-.294676E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697309033841E+03 -0.10985E-03 -0.19470E+00113880 0.334E+00 0.316E-01
RMM: 2 -0.697311418970E+03 -0.23851E-02 -0.33823E-02113880 0.420E-01 0.177E-01
RMM: 3 -0.697311610629E+03 -0.19166E-03 -0.43640E-03115653 0.157E-01 0.883E-02
RMM: 4 -0.697311658952E+03 -0.48323E-04 -0.91439E-04115279 0.681E-02 0.257E-02
RMM: 5 -0.697311674912E+03 -0.15960E-04 -0.18230E-04121461 0.290E-02 0.135E-02
RMM: 6 -0.697311677150E+03 -0.22375E-05 -0.31694E-05 83129 0.124E-02
209 F= -.69731168E+03 E0= -.69731850E+03 d E =-.274785E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697311649522E+03 0.25391E-04 -0.34471E-01115134 0.140E+00 0.133E-01
RMM: 2 -0.697312072995E+03 -0.42347E-03 -0.60124E-03113880 0.177E-01 0.744E-02
RMM: 3 -0.697312106887E+03 -0.33892E-04 -0.77852E-04115782 0.660E-02 0.373E-02
RMM: 4 -0.697312115269E+03 -0.83825E-05 -0.16179E-04115011 0.286E-02 0.109E-02
RMM: 5 -0.697312117907E+03 -0.26378E-05 -0.30736E-05 79125 0.121E-02
210 F= -.69731212E+03 E0= -.69731894E+03 d E =-.318861E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697312858312E+03 -0.74304E-03 -0.15502E+00113880 0.299E+00 0.285E-01
RMM: 2 -0.697314719887E+03 -0.18616E-02 -0.26827E-02113880 0.374E-01 0.165E-01
RMM: 3 -0.697314847482E+03 -0.12760E-03 -0.33841E-03114239 0.140E-01 0.859E-02
RMM: 4 -0.697314890086E+03 -0.42604E-04 -0.83762E-04114752 0.638E-02 0.258E-02
RMM: 5 -0.697314905910E+03 -0.15824E-04 -0.18513E-04123235 0.280E-02 0.140E-02
RMM: 6 -0.697314907431E+03 -0.15211E-05 -0.29167E-05 81291 0.118E-02
211 F= -.69731491E+03 E0= -.69732172E+03 d E =-.278952E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697314969915E+03 -0.64004E-04 -0.27863E-01115254 0.127E+00 0.121E-01
RMM: 2 -0.697315305937E+03 -0.33602E-03 -0.48402E-03113880 0.159E-01 0.701E-02
RMM: 3 -0.697315328747E+03 -0.22810E-04 -0.61086E-04114277 0.595E-02 0.366E-02
RMM: 4 -0.697315336326E+03 -0.75793E-05 -0.15112E-04114295 0.271E-02 0.110E-02
RMM: 5 -0.697315338874E+03 -0.25474E-05 -0.31194E-05 79308 0.118E-02
212 F= -.69731534E+03 E0= -.69732215E+03 d E =-.322097E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697316461952E+03 -0.11256E-02 -0.10125E+00113880 0.242E+00 0.231E-01
RMM: 2 -0.697317657140E+03 -0.11952E-02 -0.17120E-02113880 0.299E-01 0.131E-01
RMM: 3 -0.697317762811E+03 -0.10567E-03 -0.22166E-03115114 0.112E-01 0.680E-02
RMM: 4 -0.697317792451E+03 -0.29641E-04 -0.50581E-04115142 0.500E-02 0.204E-02
RMM: 5 -0.697317801645E+03 -0.91938E-05 -0.10596E-04116861 0.218E-02 0.105E-02
RMM: 6 -0.697317802656E+03 -0.10112E-05 -0.17973E-05 72254 0.942E-03
213 F= -.69731780E+03 E0= -.69732463E+03 d E =-.246378E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697317987870E+03 -0.18622E-03 -0.93875E-01113880 0.233E+00 0.223E-01
RMM: 2 -0.697319093982E+03 -0.11061E-02 -0.15875E-02113880 0.288E-01 0.126E-01
RMM: 3 -0.697319189730E+03 -0.95749E-04 -0.20460E-03115087 0.108E-01 0.656E-02
RMM: 4 -0.697319216773E+03 -0.27043E-04 -0.46825E-04115270 0.480E-02 0.198E-02
RMM: 5 -0.697319225130E+03 -0.83569E-05 -0.96741E-05114562 0.208E-02
214 F= -.69731923E+03 E0= -.69732607E+03 d E =-.388626E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697314292365E+03 0.49244E-02 -0.37556E+00113880 0.466E+00 0.446E-01
RMM: 2 -0.697318716537E+03 -0.44242E-02 -0.63407E-02113880 0.575E-01 0.252E-01
RMM: 3 -0.697319104779E+03 -0.38824E-03 -0.82020E-03115100 0.216E-01 0.131E-01
RMM: 4 -0.697319214310E+03 -0.10953E-03 -0.18702E-03115121 0.961E-02 0.394E-02
RMM: 5 -0.697319248935E+03 -0.34625E-04 -0.39453E-04123711 0.420E-02 0.205E-02
RMM: 6 -0.697319252823E+03 -0.38882E-05 -0.65924E-05102472 0.178E-02
215 F= -.69731925E+03 E0= -.69732612E+03 d E =-.391395E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697318143217E+03 0.11057E-02 -0.11853E+00113880 0.262E+00 0.251E-01
RMM: 2 -0.697319531560E+03 -0.13883E-02 -0.19949E-02113880 0.322E-01 0.142E-01
RMM: 3 -0.697319651167E+03 -0.11961E-03 -0.25535E-03115054 0.120E-01 0.735E-02
RMM: 4 -0.697319684662E+03 -0.33495E-04 -0.57819E-04114793 0.536E-02 0.219E-02
RMM: 5 -0.697319695910E+03 -0.11247E-04 -0.12413E-04119763 0.235E-02 0.114E-02
RMM: 6 -0.697319697315E+03 -0.14057E-05 -0.20620E-05 74083 0.101E-02
216 F= -.69731970E+03 E0= -.69732655E+03 d E =-.435844E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697320100793E+03 -0.40488E-03 -0.13174E+00113880 0.276E+00 0.267E-01
RMM: 2 -0.697321686691E+03 -0.15859E-02 -0.22679E-02113880 0.343E-01 0.147E-01
RMM: 3 -0.697321843920E+03 -0.15723E-03 -0.29939E-03115794 0.128E-01 0.764E-02
RMM: 4 -0.697321878268E+03 -0.34348E-04 -0.62088E-04114925 0.560E-02 0.225E-02
RMM: 5 -0.697321889666E+03 -0.11398E-04 -0.12955E-04119595 0.244E-02 0.112E-02
RMM: 6 -0.697321891129E+03 -0.14631E-05 -0.23048E-05 76702 0.105E-02
217 F= -.69732189E+03 E0= -.69732876E+03 d E =-.219381E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697320514073E+03 0.13756E-02 -0.18037E+00113880 0.323E+00 0.312E-01
RMM: 2 -0.697322694854E+03 -0.21808E-02 -0.31195E-02113880 0.402E-01 0.172E-01
RMM: 3 -0.697322912858E+03 -0.21800E-03 -0.41452E-03115883 0.151E-01 0.896E-02
RMM: 4 -0.697322960174E+03 -0.47316E-04 -0.85665E-04114973 0.657E-02 0.265E-02
RMM: 5 -0.697322976016E+03 -0.15842E-04 -0.18021E-04122420 0.286E-02 0.133E-02
RMM: 6 -0.697322977955E+03 -0.19398E-05 -0.31063E-05 81859 0.120E-02
218 F= -.69732298E+03 E0= -.69732987E+03 d E =-.328064E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697323861711E+03 -0.88570E-03 -0.10396E+00113886 0.246E+00 0.236E-01
RMM: 2 -0.697325081035E+03 -0.12193E-02 -0.17856E-02113880 0.305E-01 0.136E-01
RMM: 3 -0.697325174233E+03 -0.93197E-04 -0.22597E-03114001 0.115E-01 0.730E-02
RMM: 4 -0.697325203340E+03 -0.29107E-04 -0.57561E-04115046 0.525E-02 0.220E-02
RMM: 5 -0.697325214600E+03 -0.11260E-04 -0.12790E-04119521 0.232E-02 0.114E-02
RMM: 6 -0.697325215603E+03 -0.10034E-05 -0.19733E-05 73293 0.983E-03
219 F= -.69732522E+03 E0= -.69733212E+03 d E =-.223765E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697325318850E+03 -0.10425E-03 -0.46825E-01114510 0.165E+00 0.159E-01
RMM: 2 -0.697325869756E+03 -0.55091E-03 -0.80535E-03113880 0.205E-01 0.916E-02
RMM: 3 -0.697325911882E+03 -0.42127E-04 -0.10198E-03114033 0.770E-02 0.491E-02
RMM: 4 -0.697325925027E+03 -0.13144E-04 -0.25933E-04115071 0.352E-02 0.148E-02
RMM: 5 -0.697325929928E+03 -0.49011E-05 -0.56286E-05 95383 0.155E-02
220 F= -.69732593E+03 E0= -.69733284E+03 d E =-.295197E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697327221676E+03 -0.12966E-02 -0.92769E-01113916 0.232E+00 0.220E-01
RMM: 2 -0.697328354926E+03 -0.11333E-02 -0.16040E-02113880 0.290E-01 0.122E-01
RMM: 3 -0.697328463001E+03 -0.10807E-03 -0.21559E-03115944 0.109E-01 0.632E-02
RMM: 4 -0.697328486420E+03 -0.23420E-04 -0.44418E-04115637 0.475E-02 0.188E-02
RMM: 5 -0.697328494242E+03 -0.78212E-05 -0.88122E-05112595 0.204E-02
221 F= -.69732849E+03 E0= -.69733542E+03 d E =-.256431E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697328929275E+03 -0.44285E-03 -0.43457E-01114300 0.159E+00 0.151E-01
RMM: 2 -0.697329463929E+03 -0.53465E-03 -0.75473E-03113880 0.199E-01 0.840E-02
RMM: 3 -0.697329516421E+03 -0.52492E-04 -0.10247E-03116051 0.752E-02 0.434E-02
RMM: 4 -0.697329527723E+03 -0.11302E-04 -0.20920E-04115469 0.327E-02 0.129E-02
RMM: 5 -0.697329531402E+03 -0.36783E-05 -0.41431E-05 87217 0.141E-02
222 F= -.69732953E+03 E0= -.69733646E+03 d E =-.360147E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697327464924E+03 0.20628E-02 -0.17362E+00113880 0.317E+00 0.301E-01
RMM: 2 -0.697329585339E+03 -0.21204E-02 -0.30028E-02113880 0.396E-01 0.167E-01
RMM: 3 -0.697329787145E+03 -0.20181E-03 -0.40334E-03115966 0.149E-01 0.866E-02
RMM: 4 -0.697329830211E+03 -0.43066E-04 -0.82786E-04115618 0.648E-02 0.259E-02
RMM: 5 -0.697329845006E+03 -0.14795E-04 -0.16658E-04120525 0.278E-02 0.123E-02
RMM: 6 -0.697329847167E+03 -0.21606E-05 -0.30366E-05 81853 0.120E-02
223 F= -.69732985E+03 E0= -.69733678E+03 d E =-.391724E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697329591177E+03 0.25383E-03 -0.30356E-01114348 0.133E+00 0.126E-01
RMM: 2 -0.697329959219E+03 -0.36804E-03 -0.52145E-03113880 0.165E-01 0.700E-02
RMM: 3 -0.697329992855E+03 -0.33637E-04 -0.68973E-04115859 0.619E-02 0.361E-02
RMM: 4 -0.697329999649E+03 -0.67932E-05 -0.14041E-04114352 0.268E-02 0.107E-02
RMM: 5 -0.697330002090E+03 -0.24416E-05 -0.27957E-05 77221 0.116E-02
224 F= -.69733000E+03 E0= -.69733693E+03 d E =-.407216E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697330900861E+03 -0.90121E-03 -0.27473E-01114441 0.126E+00 0.119E-01
RMM: 2 -0.697331210345E+03 -0.30948E-03 -0.44828E-03113880 0.153E-01 0.666E-02
RMM: 3 -0.697331237145E+03 -0.26800E-04 -0.57431E-04114749 0.573E-02 0.347E-02
RMM: 4 -0.697331244295E+03 -0.71505E-05 -0.13314E-04114575 0.254E-02 0.103E-02
RMM: 5 -0.697331246607E+03 -0.23119E-05 -0.25867E-05 76358 0.110E-02
225 F= -.69733125E+03 E0= -.69733819E+03 d E =-.124452E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697330878209E+03 0.36609E-03 -0.24784E+00113880 0.378E+00 0.356E-01
RMM: 2 -0.697333706251E+03 -0.28280E-02 -0.40720E-02113880 0.462E-01 0.201E-01
RMM: 3 -0.697333965191E+03 -0.25894E-03 -0.53298E-03114859 0.174E-01 0.105E-01
RMM: 4 -0.697334034508E+03 -0.69317E-04 -0.12386E-03115377 0.776E-02 0.312E-02
RMM: 5 -0.697334057676E+03 -0.23168E-04 -0.25772E-04123230 0.338E-02 0.161E-02
RMM: 6 -0.697334060333E+03 -0.26572E-05 -0.42561E-05 90886 0.143E-02
226 F= -.69733406E+03 E0= -.69734105E+03 d E =-.405824E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697323056238E+03 0.11001E-01 -0.99118E+00113880 0.756E+00 0.713E-01
RMM: 2 -0.697334356138E+03 -0.11300E-01 -0.16292E-01113880 0.924E-01 0.401E-01
RMM: 3 -0.697335371971E+03 -0.10158E-02 -0.21223E-02114873 0.348E-01 0.210E-01
RMM: 4 -0.697335638979E+03 -0.26701E-03 -0.49161E-03115273 0.155E-01 0.630E-02
RMM: 5 -0.697335731409E+03 -0.92431E-04 -0.10233E-03123316 0.674E-02 0.322E-02
RMM: 6 -0.697335742520E+03 -0.11111E-04 -0.17342E-04115345 0.287E-02 0.119E-02
RMM: 7 -0.697335745799E+03 -0.32786E-05 -0.36190E-05 85992 0.125E-02
227 F= -.69733575E+03 E0= -.69734283E+03 d E =-.574371E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697336503631E+03 -0.76111E-03 -0.16602E+00113886 0.309E+00 0.290E-01
RMM: 2 -0.697338326832E+03 -0.18232E-02 -0.26882E-02113880 0.377E-01 0.168E-01
RMM: 3 -0.697338458103E+03 -0.13127E-03 -0.34832E-03114144 0.142E-01 0.872E-02
RMM: 4 -0.697338505072E+03 -0.46969E-04 -0.89277E-04115311 0.651E-02 0.259E-02
RMM: 5 -0.697338521022E+03 -0.15949E-04 -0.18652E-04122416 0.284E-02 0.140E-02
RMM: 6 -0.697338522861E+03 -0.18395E-05 -0.31220E-05 82780 0.123E-02
228 F= -.69733852E+03 E0= -.69734566E+03 d E =-.277706E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697338468566E+03 0.52456E-04 -0.85918E-01114270 0.222E+00 0.209E-01
RMM: 2 -0.697339413822E+03 -0.94526E-03 -0.13944E-02113880 0.271E-01 0.121E-01
RMM: 3 -0.697339482427E+03 -0.68605E-04 -0.18109E-03114187 0.102E-01 0.628E-02
RMM: 4 -0.697339506731E+03 -0.24304E-04 -0.46274E-04115368 0.468E-02 0.187E-02
RMM: 5 -0.697339514860E+03 -0.81298E-05 -0.95924E-05113956 0.203E-02
229 F= -.69733951E+03 E0= -.69734669E+03 d E =-.376906E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697339452634E+03 0.54096E-04 -0.18671E-01119724 0.103E+00 0.972E-02
RMM: 2 -0.697339660623E+03 -0.20799E-03 -0.30470E-03113880 0.127E-01 0.566E-02
RMM: 3 -0.697339677492E+03 -0.16869E-04 -0.40603E-04114290 0.485E-02 0.293E-02
RMM: 4 -0.697339683265E+03 -0.57728E-05 -0.10270E-04113600 0.222E-02 0.866E-03
RMM: 5 -0.697339684878E+03 -0.16133E-05 -0.19788E-05 73521 0.970E-03
230 F= -.69733968E+03 E0= -.69734688E+03 d E =-.393908E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697341657057E+03 -0.19738E-02 -0.10024E+00113958 0.239E+00 0.226E-01
RMM: 2 -0.697342792515E+03 -0.11355E-02 -0.16490E-02113880 0.295E-01 0.128E-01
RMM: 3 -0.697342875775E+03 -0.83259E-04 -0.23016E-03115664 0.112E-01 0.620E-02
RMM: 4 -0.697342901342E+03 -0.25567E-04 -0.49334E-04116390 0.491E-02 0.195E-02
RMM: 5 -0.697342908251E+03 -0.69092E-05 -0.89279E-05112812 0.207E-02
231 F= -.69734291E+03 E0= -.69735017E+03 d E =-.322337E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697343509735E+03 -0.60839E-03 -0.57786E-01114012 0.181E+00 0.171E-01
RMM: 2 -0.697344168420E+03 -0.65868E-03 -0.95542E-03113880 0.224E-01 0.974E-02
RMM: 3 -0.697344217987E+03 -0.49568E-04 -0.13444E-03115685 0.858E-02 0.473E-02
RMM: 4 -0.697344233180E+03 -0.15192E-04 -0.28741E-04116252 0.376E-02 0.149E-02
RMM: 5 -0.697344237162E+03 -0.39827E-05 -0.51846E-05 94249 0.159E-02
232 F= -.69734424E+03 E0= -.69735155E+03 d E =-.455228E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697341081087E+03 0.31521E-02 -0.23091E+00113880 0.363E+00 0.343E-01
RMM: 2 -0.697343698364E+03 -0.26173E-02 -0.38018E-02113880 0.447E-01 0.194E-01
RMM: 3 -0.697343890977E+03 -0.19261E-03 -0.52966E-03115626 0.170E-01 0.944E-02
RMM: 4 -0.697343950122E+03 -0.59145E-04 -0.11349E-03116259 0.746E-02 0.296E-02
RMM: 5 -0.697343966396E+03 -0.16275E-04 -0.20893E-04120262 0.315E-02 0.146E-02
RMM: 6 -0.697343969563E+03 -0.31667E-05 -0.41581E-05 88394 0.139E-02
233 F= -.69734397E+03 E0= -.69735138E+03 d E =-.428469E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697343540981E+03 0.42542E-03 -0.85026E-01113892 0.220E+00 0.208E-01
RMM: 2 -0.697344501299E+03 -0.96032E-03 -0.13933E-02113880 0.271E-01 0.118E-01
RMM: 3 -0.697344570646E+03 -0.69347E-04 -0.19151E-03115556 0.103E-01 0.570E-02
RMM: 4 -0.697344591832E+03 -0.21186E-04 -0.40761E-04115738 0.449E-02 0.176E-02
RMM: 5 -0.697344597899E+03 -0.60675E-05 -0.76542E-05106831 0.190E-02
234 F= -.69734460E+03 E0= -.69735194E+03 d E =-.491302E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697346667979E+03 -0.20761E-02 -0.79835E-01113892 0.213E+00 0.198E-01
RMM: 2 -0.697347461730E+03 -0.79375E-03 -0.12016E-02113880 0.253E-01 0.116E-01
RMM: 3 -0.697347504356E+03 -0.42627E-04 -0.15913E-03113928 0.962E-02 0.573E-02
RMM: 4 -0.697347526426E+03 -0.22070E-04 -0.41369E-04115780 0.439E-02 0.179E-02
RMM: 5 -0.697347533041E+03 -0.66153E-05 -0.81688E-05107723 0.188E-02
235 F= -.69734753E+03 E0= -.69735490E+03 d E =-.293514E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697346715376E+03 0.81105E-03 -0.40313E+00113880 0.479E+00 0.445E-01
RMM: 2 -0.697350759263E+03 -0.40439E-02 -0.61029E-02113880 0.571E-01 0.262E-01
RMM: 3 -0.697350994169E+03 -0.23491E-03 -0.82140E-03113960 0.219E-01 0.129E-01
RMM: 4 -0.697351115472E+03 -0.12130E-03 -0.21419E-03115979 0.998E-02 0.405E-02
RMM: 5 -0.697351150245E+03 -0.34773E-04 -0.42427E-04122249 0.431E-02 0.224E-02
RMM: 6 -0.697351154857E+03 -0.46124E-05 -0.72873E-05104794 0.186E-02
236 F= -.69735115E+03 E0= -.69735855E+03 d E =-.655696E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697350992201E+03 0.15804E-03 -0.40792E-01115890 0.152E+00 0.141E-01
RMM: 2 -0.697351403968E+03 -0.41177E-03 -0.62091E-03113880 0.182E-01 0.836E-02
RMM: 3 -0.697351427604E+03 -0.23636E-04 -0.83857E-04113979 0.698E-02 0.412E-02
RMM: 4 -0.697351439925E+03 -0.12321E-04 -0.21996E-04115940 0.319E-02 0.130E-02
RMM: 5 -0.697351443153E+03 -0.32285E-05 -0.41428E-05 86742 0.137E-02
237 F= -.69735144E+03 E0= -.69735885E+03 d E =-.684525E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697353440957E+03 -0.20010E-02 -0.19227E+00113880 0.331E+00 0.309E-01
RMM: 2 -0.697355441144E+03 -0.20002E-02 -0.29684E-02113880 0.399E-01 0.179E-01
RMM: 3 -0.697355575200E+03 -0.13406E-03 -0.40751E-03114869 0.153E-01 0.863E-02
RMM: 4 -0.697355631093E+03 -0.55893E-04 -0.96912E-04116608 0.680E-02 0.269E-02
RMM: 5 -0.697355645868E+03 -0.14775E-04 -0.17697E-04120356 0.288E-02 0.140E-02
RMM: 6 -0.697355648528E+03 -0.26598E-05 -0.33305E-05 84440 0.126E-02
238 F= -.69735565E+03 E0= -.69736305E+03 d E =-.420537E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697355945336E+03 -0.29947E-03 -0.15672E+00113886 0.299E+00 0.279E-01
RMM: 2 -0.697357576106E+03 -0.16308E-02 -0.24207E-02113880 0.360E-01 0.162E-01
RMM: 3 -0.697357683856E+03 -0.10775E-03 -0.33156E-03114869 0.138E-01 0.781E-02
RMM: 4 -0.697357729015E+03 -0.45159E-04 -0.78918E-04116658 0.613E-02 0.244E-02
RMM: 5 -0.697357740982E+03 -0.11966E-04 -0.14327E-04119905 0.259E-02 0.127E-02
RMM: 6 -0.697357743140E+03 -0.21584E-05 -0.26941E-05 79713 0.113E-02
239 F= -.69735774E+03 E0= -.69736514E+03 d E =-.629999E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697349878788E+03 0.78622E-02 -0.62663E+00113880 0.597E+00 0.560E-01
RMM: 2 -0.697356402708E+03 -0.65239E-02 -0.96805E-02113880 0.720E-01 0.323E-01
RMM: 3 -0.697356839867E+03 -0.43716E-03 -0.13251E-02114859 0.275E-01 0.157E-01
RMM: 4 -0.697357018185E+03 -0.17832E-03 -0.31443E-03116605 0.122E-01 0.493E-02
RMM: 5 -0.697357066125E+03 -0.47940E-04 -0.57356E-04121651 0.517E-02 0.256E-02
RMM: 6 -0.697357074589E+03 -0.84640E-05 -0.10819E-04109274 0.226E-02 0.732E-03
RMM: 7 -0.697357076572E+03 -0.19835E-05 -0.23385E-05 78286 0.101E-02
240 F= -.69735708E+03 E0= -.69736447E+03 d E =-.563342E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697355395033E+03 0.16796E-02 -0.24805E+00113880 0.376E+00 0.351E-01
RMM: 2 -0.697357979792E+03 -0.25848E-02 -0.38236E-02113880 0.452E-01 0.203E-01
RMM: 3 -0.697358150672E+03 -0.17088E-03 -0.52012E-03114816 0.173E-01 0.979E-02
RMM: 4 -0.697358220823E+03 -0.70151E-04 -0.12336E-03116441 0.768E-02 0.303E-02
RMM: 5 -0.697358239476E+03 -0.18653E-04 -0.22795E-04121294 0.325E-02 0.159E-02
RMM: 6 -0.697358242474E+03 -0.29983E-05 -0.41690E-05 88443 0.141E-02
241 F= -.69735824E+03 E0= -.69736564E+03 d E =-.679932E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697360011077E+03 -0.17716E-02 -0.18756E+00113880 0.328E+00 0.306E-01
RMM: 2 -0.697362005016E+03 -0.19939E-02 -0.29295E-02113880 0.396E-01 0.178E-01
RMM: 3 -0.697362133715E+03 -0.12870E-03 -0.39442E-03114633 0.151E-01 0.872E-02
RMM: 4 -0.697362182476E+03 -0.48761E-04 -0.93171E-04115844 0.671E-02 0.273E-02
RMM: 5 -0.697362198022E+03 -0.15546E-04 -0.18398E-04121608 0.289E-02 0.145E-02
RMM: 6 -0.697362200304E+03 -0.22816E-05 -0.31969E-05 83754 0.125E-02
242 F= -.69736220E+03 E0= -.69736967E+03 d E =-.395783E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697360235801E+03 0.19622E-02 -0.36933E+00113880 0.460E+00 0.429E-01
RMM: 2 -0.697364187510E+03 -0.39517E-02 -0.57986E-02113880 0.557E-01 0.250E-01
RMM: 3 -0.697364443814E+03 -0.25630E-03 -0.78361E-03114684 0.212E-01 0.123E-01
RMM: 4 -0.697364541134E+03 -0.97319E-04 -0.18551E-03116048 0.946E-02 0.386E-02
RMM: 5 -0.697364571883E+03 -0.30749E-04 -0.36457E-04122662 0.406E-02 0.204E-02
RMM: 6 -0.697364576299E+03 -0.44164E-05 -0.62494E-05100719 0.174E-02
243 F= -.69736458E+03 E0= -.69737214E+03 d E =-.633382E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697367124651E+03 -0.25528E-02 -0.15399E+00113904 0.297E+00 0.278E-01
RMM: 2 -0.697368686303E+03 -0.15617E-02 -0.23730E-02113880 0.357E-01 0.164E-01
RMM: 3 -0.697368781504E+03 -0.95201E-04 -0.32156E-03114241 0.137E-01 0.805E-02
RMM: 4 -0.697368824805E+03 -0.43301E-04 -0.81536E-04116564 0.619E-02 0.247E-02
RMM: 5 -0.697368837566E+03 -0.12760E-04 -0.15393E-04121054 0.264E-02 0.134E-02
RMM: 6 -0.697368839531E+03 -0.19654E-05 -0.27404E-05 80268 0.115E-02
244 F= -.69736884E+03 E0= -.69737642E+03 d E =-.426323E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697369555403E+03 -0.71784E-03 -0.17714E+00113880 0.319E+00 0.299E-01
RMM: 2 -0.697371348338E+03 -0.17929E-02 -0.27243E-02113880 0.382E-01 0.176E-01
RMM: 3 -0.697371458101E+03 -0.10976E-03 -0.36935E-03114258 0.146E-01 0.862E-02
RMM: 4 -0.697371507890E+03 -0.49788E-04 -0.93432E-04116529 0.663E-02 0.265E-02
RMM: 5 -0.697371522555E+03 -0.14666E-04 -0.17672E-04121442 0.283E-02 0.144E-02
RMM: 6 -0.697371524790E+03 -0.22343E-05 -0.31240E-05 82927 0.123E-02
245 F= -.69737152E+03 E0= -.69737911E+03 d E =-.694849E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697363116498E+03 0.84061E-02 -0.70825E+00113880 0.637E+00 0.598E-01
RMM: 2 -0.697370293345E+03 -0.71768E-02 -0.10898E-01113880 0.764E-01 0.352E-01
RMM: 3 -0.697370736697E+03 -0.44335E-03 -0.14756E-02114257 0.293E-01 0.173E-01
RMM: 4 -0.697370933130E+03 -0.19643E-03 -0.37256E-03116484 0.133E-01 0.537E-02
RMM: 5 -0.697370991913E+03 -0.58783E-04 -0.70593E-04122179 0.566E-02 0.290E-02
RMM: 6 -0.697371000825E+03 -0.89116E-05 -0.12559E-04110113 0.246E-02 0.859E-03
RMM: 7 -0.697371003323E+03 -0.24983E-05 -0.28106E-05 80739 0.110E-02
246 F= -.69737100E+03 E0= -.69737862E+03 d E =-.642702E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697369560054E+03 0.14408E-02 -0.24321E+00113880 0.373E+00 0.350E-01
RMM: 2 -0.697372011971E+03 -0.24519E-02 -0.37190E-02113880 0.447E-01 0.206E-01
RMM: 3 -0.697372161688E+03 -0.14972E-03 -0.50173E-03114213 0.171E-01 0.101E-01
RMM: 4 -0.697372229056E+03 -0.67368E-04 -0.12673E-03116349 0.773E-02 0.306E-02
RMM: 5 -0.697372248947E+03 -0.19890E-04 -0.24241E-04122102 0.330E-02 0.167E-02
RMM: 6 -0.697372251730E+03 -0.27834E-05 -0.41982E-05 89316 0.143E-02
247 F= -.69737225E+03 E0= -.69737985E+03 d E =-.767543E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697374317642E+03 -0.20687E-02 -0.88787E-01114048 0.225E+00 0.211E-01
RMM: 2 -0.697375203953E+03 -0.88631E-03 -0.13370E-02113880 0.268E-01 0.122E-01
RMM: 3 -0.697375267723E+03 -0.63771E-04 -0.18697E-03115075 0.103E-01 0.578E-02
RMM: 4 -0.697375291986E+03 -0.24263E-04 -0.42645E-04116280 0.454E-02 0.178E-02
RMM: 5 -0.697375298479E+03 -0.64933E-05 -0.79137E-05108156 0.194E-02
248 F= -.69737530E+03 E0= -.69738290E+03 d E =-.304675E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697371776629E+03 0.35154E-02 -0.80012E+00113880 0.676E+00 0.634E-01
RMM: 2 -0.697379859498E+03 -0.80829E-02 -0.12158E-01113880 0.807E-01 0.367E-01
RMM: 3 -0.697380460949E+03 -0.60145E-03 -0.17145E-02115156 0.311E-01 0.176E-01
RMM: 4 -0.697380683068E+03 -0.22212E-03 -0.38992E-03116392 0.137E-01 0.547E-02
RMM: 5 -0.697380743669E+03 -0.60601E-04 -0.73745E-04122288 0.588E-02 0.290E-02
RMM: 6 -0.697380753662E+03 -0.99929E-05 -0.13613E-04109388 0.254E-02 0.954E-03
RMM: 7 -0.697380756367E+03 -0.27054E-05 -0.29927E-05 82373 0.115E-02
249 F= -.69738076E+03 E0= -.69738834E+03 d E =-.850464E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697379569588E+03 0.11841E-02 -0.16310E+00113892 0.305E+00 0.286E-01
RMM: 2 -0.697381214053E+03 -0.16445E-02 -0.24760E-02113880 0.364E-01 0.165E-01
RMM: 3 -0.697381334493E+03 -0.12044E-03 -0.34889E-03115155 0.140E-01 0.787E-02
RMM: 4 -0.697381380051E+03 -0.45558E-04 -0.79582E-04116416 0.620E-02 0.244E-02
RMM: 5 -0.697381392303E+03 -0.12252E-04 -0.14914E-04120205 0.265E-02 0.129E-02
RMM: 6 -0.697381394398E+03 -0.20957E-05 -0.27957E-05 80434 0.115E-02
250 F= -.69738139E+03 E0= -.69738898E+03 d E =-.914267E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697383811270E+03 -0.24190E-02 -0.16593E+00113886 0.309E+00 0.292E-01
RMM: 2 -0.697385491407E+03 -0.16801E-02 -0.25397E-02113880 0.371E-01 0.171E-01
RMM: 3 -0.697385600374E+03 -0.10897E-03 -0.34672E-03114285 0.142E-01 0.837E-02
RMM: 4 -0.697385649212E+03 -0.48838E-04 -0.87661E-04116793 0.641E-02 0.261E-02
RMM: 5 -0.697385662711E+03 -0.13499E-04 -0.16401E-04121561 0.273E-02 0.138E-02
RMM: 6 -0.697385664737E+03 -0.20260E-05 -0.28912E-05 80875 0.117E-02
251 F= -.69738566E+03 E0= -.69739329E+03 d E =-.427034E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697386092557E+03 -0.42985E-03 -0.21598E+00113880 0.352E+00 0.333E-01
RMM: 2 -0.697388276755E+03 -0.21842E-02 -0.33019E-02113880 0.423E-01 0.195E-01
RMM: 3 -0.697388417994E+03 -0.14124E-03 -0.45090E-03114305 0.162E-01 0.954E-02
RMM: 4 -0.697388481512E+03 -0.63518E-04 -0.11386E-03116787 0.731E-02 0.298E-02
RMM: 5 -0.697388499050E+03 -0.17537E-04 -0.21298E-04121912 0.312E-02 0.158E-02
RMM: 6 -0.697388501677E+03 -0.26277E-05 -0.37501E-05 86916 0.133E-02
252 F= -.69738850E+03 E0= -.69739618E+03 d E =-.710728E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697378032797E+03 0.10466E-01 -0.86382E+00113880 0.704E+00 0.667E-01
RMM: 2 -0.697386761378E+03 -0.87286E-02 -0.13193E-01113880 0.845E-01 0.391E-01
RMM: 3 -0.697387321003E+03 -0.55962E-03 -0.17977E-02114297 0.324E-01 0.191E-01
RMM: 4 -0.697387572427E+03 -0.25142E-03 -0.45390E-03116751 0.146E-01 0.599E-02
RMM: 5 -0.697387642589E+03 -0.70163E-04 -0.84943E-04122164 0.623E-02 0.316E-02
RMM: 6 -0.697387653381E+03 -0.10792E-04 -0.15205E-04111966 0.267E-02 0.975E-03
RMM: 7 -0.697387656304E+03 -0.29231E-05 -0.32908E-05 83173 0.119E-02
253 F= -.69738766E+03 E0= -.69739543E+03 d E =-.626191E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697385443563E+03 0.22098E-02 -0.33798E+00113880 0.440E+00 0.417E-01
RMM: 2 -0.697388849557E+03 -0.34060E-02 -0.51463E-02113880 0.528E-01 0.244E-01
RMM: 3 -0.697389068400E+03 -0.21884E-03 -0.70007E-03114274 0.202E-01 0.119E-01
RMM: 4 -0.697389166157E+03 -0.97757E-04 -0.17611E-03116649 0.911E-02 0.371E-02
RMM: 5 -0.697389193616E+03 -0.27459E-04 -0.33266E-04122181 0.389E-02 0.196E-02
RMM: 6 -0.697389197656E+03 -0.40393E-05 -0.58154E-05 99083 0.166E-02
254 F= -.69738920E+03 E0= -.69739691E+03 d E =-.780326E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697391329685E+03 -0.21361E-02 -0.29863E+00113880 0.414E+00 0.398E-01
RMM: 2 -0.697394460867E+03 -0.31312E-02 -0.46828E-02113880 0.502E-01 0.228E-01
RMM: 3 -0.697394699650E+03 -0.23878E-03 -0.65064E-03115550 0.191E-01 0.113E-01
RMM: 4 -0.697394771994E+03 -0.72343E-04 -0.14202E-03115806 0.839E-02 0.343E-02
RMM: 5 -0.697394794968E+03 -0.22974E-04 -0.27914E-04122432 0.361E-02 0.174E-02
RMM: 6 -0.697394798521E+03 -0.35531E-05 -0.51202E-05 94562 0.155E-02
255 F= -.69739480E+03 E0= -.69740249E+03 d E =-.560087E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697391397123E+03 0.33978E-02 -0.59670E+00113880 0.585E+00 0.563E-01
RMM: 2 -0.697397690276E+03 -0.62932E-02 -0.94005E-02113880 0.711E-01 0.322E-01
RMM: 3 -0.697398175740E+03 -0.48546E-03 -0.13137E-02115629 0.271E-01 0.160E-01
RMM: 4 -0.697398320987E+03 -0.14525E-03 -0.28587E-03115868 0.119E-01 0.488E-02
RMM: 5 -0.697398367324E+03 -0.46338E-04 -0.56262E-04122936 0.513E-02 0.247E-02
RMM: 6 -0.697398374619E+03 -0.72945E-05 -0.10394E-04108176 0.219E-02 0.854E-03
RMM: 7 -0.697398376475E+03 -0.18564E-05 -0.20905E-05 76529 0.963E-03
256 F= -.69739838E+03 E0= -.69740603E+03 d E =-.917882E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697400729745E+03 -0.23551E-02 -0.43227E+00113880 0.498E+00 0.482E-01
RMM: 2 -0.697405157582E+03 -0.44278E-02 -0.67188E-02113880 0.602E-01 0.280E-01
RMM: 3 -0.697405434698E+03 -0.27712E-03 -0.91392E-03114526 0.229E-01 0.141E-01
RMM: 4 -0.697405541533E+03 -0.10684E-03 -0.22330E-03115475 0.104E-01 0.432E-02
RMM: 5 -0.697405578633E+03 -0.37099E-04 -0.45990E-04123039 0.452E-02 0.233E-02
RMM: 6 -0.697405583350E+03 -0.47173E-05 -0.77314E-05105466 0.191E-02
257 F= -.69740558E+03 E0= -.69741324E+03 d E =-.720687E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697405675276E+03 -0.96643E-04 -0.17461E+00114792 0.316E+00 0.306E-01
RMM: 2 -0.697407465464E+03 -0.17902E-02 -0.27177E-02113880 0.383E-01 0.178E-01
RMM: 3 -0.697407579134E+03 -0.11367E-03 -0.37124E-03114566 0.146E-01 0.898E-02
RMM: 4 -0.697407623039E+03 -0.43905E-04 -0.90615E-04115551 0.660E-02 0.275E-02
RMM: 5 -0.697407637899E+03 -0.14860E-04 -0.18610E-04122137 0.287E-02 0.148E-02
RMM: 6 -0.697407639747E+03 -0.18474E-05 -0.31034E-05 82564 0.121E-02
258 F= -.69740764E+03 E0= -.69741530E+03 d E =-.926327E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697407438971E+03 0.19893E-03 -0.43526E-01118212 0.158E+00 0.153E-01
RMM: 2 -0.697407885564E+03 -0.44659E-03 -0.67747E-03113880 0.191E-01 0.889E-02
RMM: 3 -0.697407914395E+03 -0.28831E-04 -0.92893E-04114603 0.730E-02 0.448E-02
RMM: 4 -0.697407925512E+03 -0.11117E-04 -0.22630E-04115284 0.329E-02 0.138E-02
RMM: 5 -0.697407929004E+03 -0.34924E-05 -0.44880E-05 88656 0.143E-02
259 F= -.69740793E+03 E0= -.69741559E+03 d E =-.955253E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697409668113E+03 -0.17426E-02 -0.37652E+00113898 0.463E+00 0.444E-01
RMM: 2 -0.697413371439E+03 -0.37033E-02 -0.56638E-02113880 0.553E-01 0.257E-01
RMM: 3 -0.697413642013E+03 -0.27057E-03 -0.79438E-03114816 0.213E-01 0.126E-01
RMM: 4 -0.697413749582E+03 -0.10757E-03 -0.18787E-03116218 0.947E-02 0.396E-02
RMM: 5 -0.697413778287E+03 -0.28705E-04 -0.35715E-04122200 0.408E-02 0.202E-02
RMM: 6 -0.697413782952E+03 -0.46654E-05 -0.66254E-05101950 0.176E-02
260 F= -.69741378E+03 E0= -.69742149E+03 d E =-.585395E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697413806280E+03 -0.27993E-04 -0.28117E+00113880 0.400E+00 0.384E-01
RMM: 2 -0.697416571992E+03 -0.27657E-02 -0.42327E-02113880 0.478E-01 0.222E-01
RMM: 3 -0.697416772527E+03 -0.20053E-03 -0.59350E-03114815 0.184E-01 0.109E-01
RMM: 4 -0.697416852752E+03 -0.80225E-04 -0.14046E-03116250 0.818E-02 0.343E-02
RMM: 5 -0.697416874089E+03 -0.21337E-04 -0.26619E-04121853 0.352E-02 0.175E-02
RMM: 6 -0.697416877478E+03 -0.33889E-05 -0.48571E-05 93702 0.151E-02
261 F= -.69741688E+03 E0= -.69742463E+03 d E =-.894847E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697405411068E+03 0.11463E-01 -0.11246E+01113880 0.801E+00 0.770E-01
RMM: 2 -0.697416469512E+03 -0.11058E-01 -0.16909E-01113880 0.955E-01 0.444E-01
RMM: 3 -0.697417269819E+03 -0.80031E-03 -0.23666E-02114770 0.367E-01 0.217E-01
RMM: 4 -0.697417589566E+03 -0.31975E-03 -0.56165E-03116296 0.163E-01 0.691E-02
RMM: 5 -0.697417674696E+03 -0.85130E-04 -0.10562E-03122181 0.702E-02 0.352E-02
RMM: 6 -0.697417688724E+03 -0.14028E-04 -0.19608E-04114268 0.302E-02 0.110E-02
RMM: 7 -0.697417692519E+03 -0.37953E-05 -0.43305E-05 89083 0.136E-02
262 F= -.69741769E+03 E0= -.69742552E+03 d E =-.976351E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697415973064E+03 0.17157E-02 -0.20366E+00113904 0.341E+00 0.327E-01
RMM: 2 -0.697417982972E+03 -0.20099E-02 -0.30695E-02113880 0.406E-01 0.189E-01
RMM: 3 -0.697418130129E+03 -0.14716E-03 -0.42785E-03114752 0.156E-01 0.922E-02
RMM: 4 -0.697418187689E+03 -0.57561E-04 -0.10080E-03116160 0.694E-02 0.290E-02
RMM: 5 -0.697418203163E+03 -0.15473E-04 -0.19170E-04121021 0.298E-02 0.148E-02
RMM: 6 -0.697418205639E+03 -0.24767E-05 -0.34902E-05 84622 0.128E-02
263 F= -.69741821E+03 E0= -.69742600E+03 d E =-.102766E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697419849460E+03 -0.16463E-02 -0.47180E+00113880 0.520E+00 0.492E-01
RMM: 2 -0.697424594954E+03 -0.47455E-02 -0.71197E-02113880 0.621E-01 0.283E-01
RMM: 3 -0.697424932506E+03 -0.33755E-03 -0.99304E-03114727 0.238E-01 0.134E-01
RMM: 4 -0.697425075682E+03 -0.14318E-03 -0.23838E-03116955 0.106E-01 0.423E-02
RMM: 5 -0.697425109330E+03 -0.33648E-04 -0.43004E-04121609 0.447E-02 0.217E-02
RMM: 6 -0.697425115141E+03 -0.58110E-05 -0.79790E-05106237 0.194E-02
264 F= -.69742512E+03 E0= -.69743291E+03 d E =-.690950E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697424111201E+03 0.99813E-03 -0.28928E+00113880 0.407E+00 0.384E-01
RMM: 2 -0.697427037521E+03 -0.29263E-02 -0.43867E-02113880 0.487E-01 0.222E-01
RMM: 3 -0.697427248240E+03 -0.21072E-03 -0.61543E-03114795 0.187E-01 0.105E-01
RMM: 4 -0.697427337118E+03 -0.88878E-04 -0.14743E-03117091 0.834E-02 0.333E-02
RMM: 5 -0.697427357807E+03 -0.20689E-04 -0.26496E-04121475 0.350E-02 0.170E-02
RMM: 6 -0.697427361351E+03 -0.35437E-05 -0.48678E-05 93412 0.152E-02
265 F= -.69742736E+03 E0= -.69743516E+03 d E =-.915571E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697430011017E+03 -0.26532E-02 -0.32206E+00113880 0.430E+00 0.402E-01
RMM: 2 -0.697433349701E+03 -0.33387E-02 -0.49768E-02113880 0.518E-01 0.236E-01
RMM: 3 -0.697433553901E+03 -0.20420E-03 -0.66651E-03113926 0.197E-01 0.119E-01
RMM: 4 -0.697433638585E+03 -0.84684E-04 -0.17006E-03116128 0.897E-02 0.378E-02
RMM: 5 -0.697433666537E+03 -0.27953E-04 -0.34130E-04123080 0.384E-02 0.205E-02
RMM: 6 -0.697433670012E+03 -0.34742E-05 -0.54380E-05 97614 0.162E-02
266 F= -.69743367E+03 E0= -.69744150E+03 d E =-.630866E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697433935231E+03 -0.26869E-03 -0.87366E-01115380 0.224E+00 0.209E-01
RMM: 2 -0.697434843955E+03 -0.90872E-03 -0.13533E-02113880 0.270E-01 0.123E-01
RMM: 3 -0.697434900168E+03 -0.56214E-04 -0.18176E-03113930 0.103E-01 0.619E-02
RMM: 4 -0.697434923492E+03 -0.23324E-04 -0.46503E-04116205 0.469E-02 0.197E-02
RMM: 5 -0.697434930906E+03 -0.74131E-05 -0.91805E-05112329 0.200E-02
267 F= -.69743493E+03 E0= -.69744277E+03 d E =-.756955E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697436821364E+03 -0.18979E-02 -0.36377E+00113880 0.457E+00 0.426E-01
RMM: 2 -0.697440681699E+03 -0.38603E-02 -0.57094E-02113880 0.554E-01 0.243E-01
RMM: 3 -0.697440968224E+03 -0.28652E-03 -0.75540E-03114276 0.209E-01 0.122E-01
RMM: 4 -0.697441068324E+03 -0.10010E-03 -0.18374E-03116049 0.937E-02 0.377E-02
RMM: 5 -0.697441097681E+03 -0.29357E-04 -0.35444E-04122763 0.396E-02 0.204E-02
RMM: 6 -0.697441102070E+03 -0.43886E-05 -0.58289E-05 98237 0.168E-02
268 F= -.69744110E+03 E0= -.69744895E+03 d E =-.617116E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697441257666E+03 -0.15999E-03 -0.72446E-01114984 0.204E+00 0.190E-01
RMM: 2 -0.697442028499E+03 -0.77083E-03 -0.11391E-02113880 0.247E-01 0.108E-01
RMM: 3 -0.697442085050E+03 -0.56551E-04 -0.15071E-03114284 0.935E-02 0.544E-02
RMM: 4 -0.697442105255E+03 -0.20205E-04 -0.36855E-04116212 0.418E-02 0.168E-02
RMM: 5 -0.697442110993E+03 -0.57384E-05 -0.68865E-05100980 0.176E-02
269 F= -.69744211E+03 E0= -.69744996E+03 d E =-.718009E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697443886894E+03 -0.17816E-02 -0.27226E+00113898 0.396E+00 0.366E-01
RMM: 2 -0.697446842308E+03 -0.29554E-02 -0.42969E-02113880 0.480E-01 0.210E-01
RMM: 3 -0.697447071896E+03 -0.22959E-03 -0.56437E-03113931 0.182E-01 0.104E-01
RMM: 4 -0.697447147587E+03 -0.75691E-04 -0.13700E-03115535 0.815E-02 0.324E-02
RMM: 5 -0.697447171829E+03 -0.24242E-04 -0.28383E-04123182 0.351E-02 0.176E-02
RMM: 6 -0.697447174904E+03 -0.30750E-05 -0.44483E-05 91962 0.148E-02
270 F= -.69744717E+03 E0= -.69745506E+03 d E =-.506391E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697447333017E+03 -0.16119E-03 -0.84060E-01114510 0.220E+00 0.203E-01
RMM: 2 -0.697448246158E+03 -0.91314E-03 -0.13275E-02113880 0.266E-01 0.117E-01
RMM: 3 -0.697448316195E+03 -0.70037E-04 -0.17431E-03113937 0.101E-01 0.579E-02
RMM: 4 -0.697448339515E+03 -0.23320E-04 -0.42453E-04115696 0.452E-02 0.180E-02
RMM: 5 -0.697448346799E+03 -0.72845E-05 -0.85903E-05108915 0.194E-02
271 F= -.69744835E+03 E0= -.69745625E+03 d E =-.623581E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697450388028E+03 -0.20485E-02 -0.25106E+00113898 0.379E+00 0.347E-01
RMM: 2 -0.697453162063E+03 -0.27740E-02 -0.39421E-02113880 0.459E-01 0.199E-01
RMM: 3 -0.697453378506E+03 -0.21644E-03 -0.52116E-03114147 0.174E-01 0.962E-02
RMM: 4 -0.697453451361E+03 -0.72855E-04 -0.12362E-03115942 0.773E-02 0.294E-02
RMM: 5 -0.697453472577E+03 -0.21216E-04 -0.24842E-04123201 0.330E-02 0.161E-02
RMM: 6 -0.697453475431E+03 -0.28543E-05 -0.39466E-05 88700 0.138E-02
272 F= -.69745348E+03 E0= -.69746138E+03 d E =-.512863E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697453631001E+03 -0.15842E-03 -0.13136E+00113952 0.274E+00 0.251E-01
RMM: 2 -0.697455083670E+03 -0.14527E-02 -0.20628E-02113880 0.332E-01 0.144E-01
RMM: 3 -0.697455195687E+03 -0.11202E-03 -0.27212E-03114141 0.126E-01 0.696E-02
RMM: 4 -0.697455233856E+03 -0.38170E-04 -0.64860E-04116166 0.558E-02 0.213E-02
RMM: 5 -0.697455244742E+03 -0.10886E-04 -0.12794E-04121109 0.236E-02 0.116E-02
RMM: 6 -0.697455246243E+03 -0.15005E-05 -0.20715E-05 74792 0.991E-03
273 F= -.69745525E+03 E0= -.69746315E+03 d E =-.689944E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697447494154E+03 0.77506E-02 -0.52526E+00113892 0.548E+00 0.503E-01
RMM: 2 -0.697453296973E+03 -0.58028E-02 -0.82377E-02113880 0.664E-01 0.287E-01
RMM: 3 -0.697453744481E+03 -0.44751E-03 -0.10839E-02114120 0.251E-01 0.139E-01
RMM: 4 -0.697453896184E+03 -0.15170E-03 -0.25824E-03116129 0.111E-01 0.426E-02
RMM: 5 -0.697453939590E+03 -0.43406E-04 -0.51006E-04123103 0.471E-02 0.234E-02
RMM: 6 -0.697453945558E+03 -0.59678E-05 -0.82343E-05106251 0.198E-02
274 F= -.69745395E+03 E0= -.69746186E+03 d E =-.559876E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697452088299E+03 0.18513E-02 -0.27949E+00113898 0.400E+00 0.366E-01
RMM: 2 -0.697455184388E+03 -0.30961E-02 -0.43872E-02113880 0.484E-01 0.210E-01
RMM: 3 -0.697455423185E+03 -0.23880E-03 -0.57338E-03114112 0.183E-01 0.101E-01
RMM: 4 -0.697455502177E+03 -0.78992E-04 -0.13568E-03115734 0.810E-02 0.305E-02
RMM: 5 -0.697455525557E+03 -0.23380E-04 -0.27333E-04123119 0.346E-02 0.168E-02
RMM: 6 -0.697455528675E+03 -0.31182E-05 -0.43257E-05 90762 0.145E-02
275 F= -.69745553E+03 E0= -.69746344E+03 d E =-.718188E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697457233005E+03 -0.17074E-02 -0.14685E+00113898 0.290E+00 0.264E-01
RMM: 2 -0.697458818889E+03 -0.15859E-02 -0.22478E-02113880 0.346E-01 0.152E-01
RMM: 3 -0.697458936556E+03 -0.11767E-03 -0.28865E-03113889 0.130E-01 0.738E-02
RMM: 4 -0.697458975741E+03 -0.39184E-04 -0.69645E-04114921 0.581E-02 0.214E-02
RMM: 5 -0.697458989239E+03 -0.13498E-04 -0.15328E-04123274 0.252E-02 0.127E-02
RMM: 6 -0.697458990511E+03 -0.12727E-05 -0.21786E-05 76021 0.102E-02
276 F= -.69745899E+03 E0= -.69746690E+03 d E =-.346184E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697453575787E+03 0.54135E-02 -0.78384E+00113880 0.669E+00 0.610E-01
RMM: 2 -0.697462074886E+03 -0.84991E-02 -0.12028E-01113880 0.800E-01 0.352E-01
RMM: 3 -0.697462701872E+03 -0.62699E-03 -0.15503E-02113892 0.302E-01 0.171E-01
RMM: 4 -0.697462915777E+03 -0.21390E-03 -0.37656E-03115172 0.135E-01 0.500E-02
RMM: 5 -0.697462988558E+03 -0.72781E-04 -0.82104E-04124614 0.582E-02 0.299E-02
RMM: 6 -0.697462995668E+03 -0.71102E-05 -0.11404E-04107609 0.235E-02 0.772E-03
RMM: 7 -0.697462998014E+03 -0.23458E-05 -0.26184E-05 79965 0.107E-02
277 F= -.69746300E+03 E0= -.69747091E+03 d E =-.746934E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697465809442E+03 -0.28138E-02 -0.12301E+00114234 0.265E+00 0.246E-01
RMM: 2 -0.697467210733E+03 -0.14013E-02 -0.20164E-02113880 0.328E-01 0.141E-01
RMM: 3 -0.697467311779E+03 -0.10105E-03 -0.25822E-03114014 0.123E-01 0.717E-02
RMM: 4 -0.697467343090E+03 -0.31311E-04 -0.63168E-04115963 0.549E-02 0.216E-02
RMM: 5 -0.697467353301E+03 -0.10211E-04 -0.12353E-04120783 0.233E-02 0.116E-02
RMM: 6 -0.697467354620E+03 -0.13192E-05 -0.20453E-05 74471 0.986E-03
278 F= -.69746735E+03 E0= -.69747530E+03 d E =-.435661E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697467815205E+03 -0.46190E-03 -0.14101E+00113916 0.284E+00 0.263E-01
RMM: 2 -0.697469425267E+03 -0.16101E-02 -0.23118E-02113880 0.351E-01 0.151E-01
RMM: 3 -0.697469541519E+03 -0.11625E-03 -0.29565E-03114024 0.131E-01 0.769E-02
RMM: 4 -0.697469577386E+03 -0.35867E-04 -0.72296E-04116095 0.587E-02 0.231E-02
RMM: 5 -0.697469589078E+03 -0.11691E-04 -0.14124E-04122386 0.247E-02 0.125E-02
RMM: 6 -0.697469590514E+03 -0.14361E-05 -0.22523E-05 76424 0.103E-02
279 F= -.69746959E+03 E0= -.69747756E+03 d E =-.659250E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697469537357E+03 0.51721E-04 -0.18850E-01120120 0.104E+00 0.963E-02
RMM: 2 -0.697469754687E+03 -0.21733E-03 -0.31059E-03113880 0.129E-01 0.554E-02
RMM: 3 -0.697469770720E+03 -0.16033E-04 -0.39893E-04114101 0.482E-02 0.283E-02
RMM: 4 -0.697469775562E+03 -0.48421E-05 -0.97277E-05114427 0.215E-02
280 F= -.69746978E+03 E0= -.69747776E+03 d E =-.677755E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697471580329E+03 -0.18096E-02 -0.15439E+00113970 0.297E+00 0.271E-01
RMM: 2 -0.697473320963E+03 -0.17406E-02 -0.24418E-02113880 0.361E-01 0.159E-01
RMM: 3 -0.697473431994E+03 -0.11103E-03 -0.31473E-03113904 0.135E-01 0.769E-02
RMM: 4 -0.697473476225E+03 -0.44231E-04 -0.77442E-04116094 0.606E-02 0.239E-02
RMM: 5 -0.697473489012E+03 -0.12786E-04 -0.15465E-04122282 0.256E-02 0.131E-02
RMM: 6 -0.697473490740E+03 -0.17281E-05 -0.24337E-05 78032 0.107E-02
281 F= -.69747349E+03 E0= -.69748150E+03 d E =-.371518E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697473798352E+03 -0.30934E-03 -0.69218E-01114012 0.199E+00 0.181E-01
RMM: 2 -0.697474574144E+03 -0.77579E-03 -0.10939E-02113880 0.241E-01 0.106E-01
RMM: 3 -0.697474623145E+03 -0.49000E-04 -0.14101E-03113910 0.906E-02 0.514E-02
RMM: 4 -0.697474642760E+03 -0.19616E-04 -0.34710E-04116099 0.405E-02 0.161E-02
RMM: 5 -0.697474648304E+03 -0.55440E-05 -0.67771E-05100429 0.171E-02
282 F= -.69747465E+03 E0= -.69748267E+03 d E =-.487274E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697474638687E+03 0.40733E-05 -0.14687E-01117564 0.916E-01 0.832E-02
RMM: 2 -0.697474805693E+03 -0.16701E-03 -0.23478E-03113880 0.112E-01 0.490E-02
RMM: 3 -0.697474817411E+03 -0.11718E-04 -0.30901E-04113936 0.424E-02 0.237E-02
RMM: 4 -0.697474821994E+03 -0.45823E-05 -0.76142E-05109349 0.190E-02
283 F= -.69747482E+03 E0= -.69748285E+03 d E =-.504643E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697477244556E+03 -0.24271E-02 -0.12133E+00113940 0.263E+00 0.236E-01
RMM: 2 -0.697478569599E+03 -0.13250E-02 -0.18615E-02113880 0.316E-01 0.140E-01
RMM: 3 -0.697478647988E+03 -0.78388E-04 -0.24468E-03113915 0.119E-01 0.646E-02
RMM: 4 -0.697478686625E+03 -0.38637E-04 -0.60654E-04116936 0.532E-02 0.214E-02
RMM: 5 -0.697478695323E+03 -0.86976E-05 -0.11138E-04117263 0.222E-02 0.118E-02
RMM: 6 -0.697478696549E+03 -0.12267E-05 -0.19768E-05 74392 0.958E-03
284 F= -.69747870E+03 E0= -.69748675E+03 d E =-.387456E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697479320392E+03 -0.62507E-03 -0.80245E-01113934 0.214E+00 0.192E-01
RMM: 2 -0.697480192806E+03 -0.87241E-03 -0.12301E-02113880 0.257E-01 0.114E-01
RMM: 3 -0.697480243788E+03 -0.50982E-04 -0.16152E-03113916 0.971E-02 0.524E-02
RMM: 4 -0.697480268923E+03 -0.25135E-04 -0.40026E-04116914 0.432E-02 0.175E-02
RMM: 5 -0.697480274508E+03 -0.55851E-05 -0.72407E-05103450 0.180E-02
285 F= -.69748027E+03 E0= -.69748834E+03 d E =-.545251E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697475448135E+03 0.48208E-02 -0.32117E+00113880 0.428E+00 0.384E-01
RMM: 2 -0.697478932596E+03 -0.34845E-02 -0.49241E-02113880 0.514E-01 0.227E-01
RMM: 3 -0.697479133851E+03 -0.20125E-03 -0.64784E-03113920 0.195E-01 0.104E-01
RMM: 4 -0.697479234092E+03 -0.10024E-03 -0.16016E-03116792 0.867E-02 0.347E-02
RMM: 5 -0.697479257764E+03 -0.23672E-04 -0.29816E-04121882 0.363E-02 0.191E-02
RMM: 6 -0.697479261340E+03 -0.35756E-05 -0.53439E-05 97491 0.159E-02
286 F= -.69747926E+03 E0= -.69748736E+03 d E =-.443935E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697478565888E+03 0.69188E-03 -0.16856E+00113880 0.310E+00 0.279E-01
RMM: 2 -0.697480386559E+03 -0.18207E-02 -0.25888E-02113880 0.372E-01 0.164E-01
RMM: 3 -0.697480488979E+03 -0.10242E-03 -0.33770E-03113909 0.140E-01 0.765E-02
RMM: 4 -0.697480538092E+03 -0.49113E-04 -0.82450E-04116399 0.625E-02 0.256E-02
RMM: 5 -0.697480551258E+03 -0.13166E-04 -0.15661E-04121231 0.263E-02 0.140E-02
RMM: 6 -0.697480553560E+03 -0.23011E-05 -0.27337E-05 79553 0.114E-02
287 F= -.69748055E+03 E0= -.69748863E+03 d E =-.573157E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697482304766E+03 -0.17535E-02 -0.16861E+00113880 0.310E+00 0.280E-01
RMM: 2 -0.697484231443E+03 -0.19267E-02 -0.26770E-02113880 0.375E-01 0.165E-01
RMM: 3 -0.697484358790E+03 -0.12735E-03 -0.33920E-03114228 0.140E-01 0.801E-02
RMM: 4 -0.697484399856E+03 -0.41066E-04 -0.78769E-04115596 0.621E-02 0.235E-02
RMM: 5 -0.697484413228E+03 -0.13373E-04 -0.15678E-04121327 0.261E-02 0.128E-02
RMM: 6 -0.697484415231E+03 -0.20025E-05 -0.26131E-05 78724 0.111E-02
288 F= -.69748442E+03 E0= -.69749244E+03 d E =-.386167E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697484209366E+03 0.20386E-03 -0.92749E-01113928 0.230E+00 0.208E-01
RMM: 2 -0.697485276228E+03 -0.10669E-02 -0.14786E-02113880 0.279E-01 0.122E-01
RMM: 3 -0.697485347685E+03 -0.71457E-04 -0.18849E-03114280 0.104E-01 0.596E-02
RMM: 4 -0.697485370765E+03 -0.23080E-04 -0.43699E-04115795 0.462E-02 0.175E-02
RMM: 5 -0.697485378088E+03 -0.73229E-05 -0.85827E-05108113 0.193E-02
289 F= -.69748538E+03 E0= -.69749337E+03 d E =-.482453E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697487304796E+03 -0.19340E-02 -0.15099E+00113892 0.293E+00 0.265E-01
RMM: 2 -0.697489049114E+03 -0.17443E-02 -0.24051E-02113880 0.353E-01 0.157E-01
RMM: 3 -0.697489158637E+03 -0.10952E-03 -0.29683E-03113930 0.131E-01 0.794E-02
RMM: 4 -0.697489189667E+03 -0.31029E-04 -0.69887E-04114597 0.585E-02 0.234E-02
RMM: 5 -0.697489203267E+03 -0.13601E-04 -0.15563E-04121703 0.252E-02 0.132E-02
RMM: 6 -0.697489204774E+03 -0.15070E-05 -0.22689E-05 76726 0.104E-02
290 F= -.69748920E+03 E0= -.69749721E+03 d E =-.382669E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697489458216E+03 -0.25495E-03 -0.92716E-01114126 0.229E+00 0.208E-01
RMM: 2 -0.697490528476E+03 -0.10703E-02 -0.14754E-02113880 0.277E-01 0.123E-01
RMM: 3 -0.697490593820E+03 -0.65344E-04 -0.18115E-03113929 0.102E-01 0.624E-02
RMM: 4 -0.697490612322E+03 -0.18503E-04 -0.42631E-04114687 0.456E-02 0.184E-02
RMM: 5 -0.697490620428E+03 -0.81060E-05 -0.93094E-05108887 0.195E-02
291 F= -.69749062E+03 E0= -.69749864E+03 d E =-.524234E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697490591077E+03 0.21245E-04 -0.16528E-01120120 0.968E-01 0.876E-02
RMM: 2 -0.697490784649E+03 -0.19357E-03 -0.26644E-03113880 0.118E-01 0.521E-02
RMM: 3 -0.697490797698E+03 -0.13049E-04 -0.33430E-04113950 0.438E-02 0.264E-02
RMM: 4 -0.697490801381E+03 -0.36837E-05 -0.78942E-05108997 0.197E-02
292 F= -.69749080E+03 E0= -.69749883E+03 d E =-.542329E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697492045175E+03 -0.12475E-02 -0.20079E+00113910 0.337E+00 0.306E-01
RMM: 2 -0.697494368720E+03 -0.23235E-02 -0.32085E-02113880 0.406E-01 0.179E-01
RMM: 3 -0.697494522480E+03 -0.15376E-03 -0.40171E-03114411 0.151E-01 0.884E-02
RMM: 4 -0.697494567303E+03 -0.44823E-04 -0.91882E-04115266 0.668E-02 0.253E-02
RMM: 5 -0.697494583126E+03 -0.15823E-04 -0.18366E-04122234 0.281E-02 0.141E-02
RMM: 6 -0.697494585155E+03 -0.20297E-05 -0.29355E-05 81409 0.118E-02
293 F= -.69749459E+03 E0= -.69750265E+03 d E =-.378377E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697494698745E+03 -0.11562E-03 -0.43487E-01114762 0.157E+00 0.142E-01
RMM: 2 -0.697495201515E+03 -0.50277E-03 -0.69605E-03113880 0.189E-01 0.831E-02
RMM: 3 -0.697495234653E+03 -0.33138E-04 -0.87291E-04114438 0.703E-02 0.411E-02
RMM: 4 -0.697495244245E+03 -0.95915E-05 -0.19984E-04115183 0.311E-02 0.118E-02
RMM: 5 -0.697495247540E+03 -0.32953E-05 -0.38659E-05 85357 0.131E-02
294 F= -.69749525E+03 E0= -.69750334E+03 d E =-.444616E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697497096773E+03 -0.18525E-02 -0.15475E+00113898 0.296E+00 0.266E-01
RMM: 2 -0.697498836918E+03 -0.17401E-02 -0.24109E-02113880 0.356E-01 0.160E-01
RMM: 3 -0.697498932231E+03 -0.95313E-04 -0.30292E-03114011 0.132E-01 0.793E-02
RMM: 4 -0.697498966258E+03 -0.34027E-04 -0.73560E-04115465 0.596E-02 0.234E-02
RMM: 5 -0.697498979155E+03 -0.12897E-04 -0.15086E-04121508 0.253E-02 0.132E-02
RMM: 6 -0.697498980740E+03 -0.15849E-05 -0.23106E-05 77069 0.105E-02
295 F= -.69749898E+03 E0= -.69750700E+03 d E =-.373320E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697499145554E+03 -0.16640E-03 -0.36066E-01116010 0.143E+00 0.128E-01
RMM: 2 -0.697499552468E+03 -0.40691E-03 -0.56276E-03113880 0.172E-01 0.771E-02
RMM: 3 -0.697499574503E+03 -0.22034E-04 -0.70682E-04114024 0.638E-02 0.384E-02
RMM: 4 -0.697499582398E+03 -0.78957E-05 -0.17185E-04115175 0.287E-02 0.113E-02
RMM: 5 -0.697499585214E+03 -0.28153E-05 -0.33266E-05 82080 0.121E-02
296 F= -.69749959E+03 E0= -.69750756E+03 d E =-.433767E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697500967546E+03 -0.13851E-02 -0.12650E+00113916 0.267E+00 0.240E-01
RMM: 2 -0.697502321731E+03 -0.13542E-02 -0.19138E-02113880 0.317E-01 0.143E-01
RMM: 3 -0.697502391405E+03 -0.69675E-04 -0.24718E-03114301 0.119E-01 0.702E-02
RMM: 4 -0.697502419763E+03 -0.28358E-04 -0.59157E-04115388 0.534E-02 0.212E-02
RMM: 5 -0.697502429694E+03 -0.99306E-05 -0.11910E-04117016 0.226E-02 0.118E-02
RMM: 6 -0.697502431038E+03 -0.13443E-05 -0.19197E-05 74598 0.951E-03
297 F= -.69750243E+03 E0= -.69751042E+03 d E =-.284582E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697502593838E+03 -0.16414E-03 -0.32715E-01115116 0.136E+00 0.122E-01
RMM: 2 -0.697502944444E+03 -0.35061E-03 -0.49555E-03113880 0.161E-01 0.728E-02
RMM: 3 -0.697502962137E+03 -0.17692E-04 -0.64009E-04114337 0.603E-02 0.358E-02
RMM: 4 -0.697502969205E+03 -0.70683E-05 -0.15279E-04114324 0.271E-02 0.108E-02
RMM: 5 -0.697502971582E+03 -0.23771E-05 -0.29151E-05 79339 0.114E-02
298 F= -.69750297E+03 E0= -.69751096E+03 d E =-.338637E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697504205937E+03 -0.12367E-02 -0.15188E+00113898 0.294E+00 0.265E-01
RMM: 2 -0.697505878336E+03 -0.16724E-02 -0.23410E-02113880 0.350E-01 0.157E-01
RMM: 3 -0.697505985978E+03 -0.10764E-03 -0.30321E-03114535 0.131E-01 0.787E-02
RMM: 4 -0.697506019013E+03 -0.33036E-04 -0.69527E-04115797 0.584E-02 0.232E-02
RMM: 5 -0.697506030655E+03 -0.11642E-04 -0.14243E-04120614 0.246E-02 0.123E-02
RMM: 6 -0.697506032099E+03 -0.14441E-05 -0.22285E-05 76589 0.103E-02
299 F= -.69750603E+03 E0= -.69751404E+03 d E =-.306052E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697506113491E+03 -0.82836E-04 -0.31500E-01115374 0.134E+00 0.121E-01
RMM: 2 -0.697506463417E+03 -0.34993E-03 -0.48838E-03113880 0.160E-01 0.715E-02
RMM: 3 -0.697506485986E+03 -0.22569E-04 -0.63213E-04114595 0.596E-02 0.361E-02
RMM: 4 -0.697506492594E+03 -0.66085E-05 -0.14403E-04113966 0.266E-02 0.106E-02
RMM: 5 -0.697506494793E+03 -0.21993E-05 -0.27855E-05 78489 0.112E-02
300 F= -.69750649E+03 E0= -.69751452E+03 d E =-.352321E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697507464038E+03 -0.97144E-03 -0.13328E+00113880 0.277E+00 0.252E-01
RMM: 2 -0.697508955430E+03 -0.14914E-02 -0.20927E-02113880 0.330E-01 0.149E-01
RMM: 3 -0.697509055118E+03 -0.99688E-04 -0.26421E-03114106 0.123E-01 0.784E-02
RMM: 4 -0.697509079856E+03 -0.24737E-04 -0.63750E-04114861 0.558E-02 0.223E-02
RMM: 5 -0.697509092229E+03 -0.12374E-04 -0.14180E-04121304 0.242E-02 0.122E-02
RMM: 6 -0.697509093489E+03 -0.12597E-05 -0.20932E-05 75467 0.100E-02
301 F= -.69750909E+03 E0= -.69751714E+03 d E =-.259870E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697509172039E+03 -0.79809E-04 -0.27845E-01115512 0.126E+00 0.115E-01
RMM: 2 -0.697509484558E+03 -0.31252E-03 -0.43835E-03113880 0.151E-01 0.680E-02
RMM: 3 -0.697509505292E+03 -0.20734E-04 -0.55309E-04114186 0.563E-02 0.360E-02
RMM: 4 -0.697509510325E+03 -0.50332E-05 -0.13300E-04113616 0.255E-02 0.102E-02
RMM: 5 -0.697509512671E+03 -0.23459E-05 -0.27431E-05 78109 0.110E-02
302 F= -.69750951E+03 E0= -.69751757E+03 d E =-.301788E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697510490622E+03 -0.98030E-03 -0.12672E+00113880 0.269E+00 0.245E-01
RMM: 2 -0.697511890807E+03 -0.14002E-02 -0.19587E-02113880 0.320E-01 0.141E-01
RMM: 3 -0.697511994761E+03 -0.10395E-03 -0.25897E-03115295 0.120E-01 0.707E-02
RMM: 4 -0.697512018362E+03 -0.23602E-04 -0.55751E-04116255 0.524E-02 0.203E-02
RMM: 5 -0.697512027668E+03 -0.93055E-05 -0.10747E-04115369 0.220E-02 0.101E-02
RMM: 6 -0.697512028969E+03 -0.13008E-05 -0.18860E-05 74004 0.943E-03
303 F= -.69751203E+03 E0= -.69752009E+03 d E =-.251630E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697512110264E+03 -0.82596E-04 -0.23113E-01115752 0.115E+00 0.104E-01
RMM: 2 -0.697512366289E+03 -0.25603E-03 -0.35824E-03113880 0.137E-01 0.601E-02
RMM: 3 -0.697512385272E+03 -0.18983E-04 -0.47472E-04115454 0.511E-02 0.303E-02
RMM: 4 -0.697512389408E+03 -0.41363E-05 -0.10116E-04112977 0.223E-02 0.869E-03
RMM: 5 -0.697512390926E+03 -0.15181E-05 -0.18161E-05 73200 0.935E-03
304 F= -.69751239E+03 E0= -.69752046E+03 d E =-.287826E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697513266248E+03 -0.87684E-03 -0.12154E+00113880 0.264E+00 0.239E-01
RMM: 2 -0.697514542740E+03 -0.12765E-02 -0.17991E-02113880 0.310E-01 0.141E-01
RMM: 3 -0.697514620742E+03 -0.78001E-04 -0.23442E-03113998 0.116E-01 0.705E-02
RMM: 4 -0.697514648617E+03 -0.27875E-04 -0.57341E-04116036 0.523E-02 0.216E-02
RMM: 5 -0.697514658308E+03 -0.96909E-05 -0.11506E-04116888 0.224E-02 0.111E-02
RMM: 6 -0.697514659666E+03 -0.13582E-05 -0.19110E-05 74027 0.949E-03
305 F= -.69751466E+03 E0= -.69752274E+03 d E =-.226874E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697514734267E+03 -0.75959E-04 -0.19344E-01116178 0.105E+00 0.953E-02
RMM: 2 -0.697514938347E+03 -0.20408E-03 -0.28744E-03113880 0.124E-01 0.563E-02
RMM: 3 -0.697514950759E+03 -0.12412E-04 -0.37465E-04114042 0.464E-02 0.282E-02
RMM: 4 -0.697514955164E+03 -0.44056E-05 -0.91593E-05112745 0.208E-02
306 F= -.69751496E+03 E0= -.69752304E+03 d E =-.256424E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697515653410E+03 -0.70265E-03 -0.12770E+00113904 0.271E+00 0.251E-01
RMM: 2 -0.697517031385E+03 -0.13780E-02 -0.19431E-02113880 0.322E-01 0.145E-01
RMM: 3 -0.697517139862E+03 -0.10848E-03 -0.25692E-03115051 0.120E-01 0.744E-02
RMM: 4 -0.697517165577E+03 -0.25715E-04 -0.56865E-04115535 0.529E-02 0.207E-02
RMM: 5 -0.697517175018E+03 -0.94418E-05 -0.11522E-04117654 0.225E-02 0.105E-02
RMM: 6 -0.697517176179E+03 -0.11601E-05 -0.19230E-05 74167 0.950E-03
307 F= -.69751718E+03 E0= -.69752529E+03 d E =-.222101E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697517248181E+03 -0.73163E-04 -0.15268E-01117966 0.937E-01 0.865E-02
RMM: 2 -0.697517412128E+03 -0.16395E-03 -0.23240E-03113880 0.111E-01 0.498E-02
RMM: 3 -0.697517425191E+03 -0.13063E-04 -0.30969E-04115170 0.416E-02 0.256E-02
RMM: 4 -0.697517428232E+03 -0.30406E-05 -0.68117E-05106879 0.183E-02
308 F= -.69751743E+03 E0= -.69752555E+03 d E =-.247307E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697518264719E+03 -0.83953E-03 -0.95971E-01113916 0.236E+00 0.217E-01
RMM: 2 -0.697519317581E+03 -0.10529E-02 -0.14849E-02113880 0.283E-01 0.128E-01
RMM: 3 -0.697519394747E+03 -0.77166E-04 -0.19612E-03113938 0.107E-01 0.661E-02
RMM: 4 -0.697519418503E+03 -0.23756E-04 -0.48114E-04115912 0.481E-02 0.199E-02
RMM: 5 -0.697519426937E+03 -0.84339E-05 -0.99087E-05112785 0.206E-02
309 F= -.69751943E+03 E0= -.69752755E+03 d E =-.199870E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697519545920E+03 -0.12742E-03 -0.86438E-02119418 0.707E-01 0.649E-02
RMM: 2 -0.697519642928E+03 -0.97008E-04 -0.13609E-03113880 0.858E-02 0.385E-02
RMM: 3 -0.697519651072E+03 -0.81446E-05 -0.18550E-04114014 0.328E-02 0.199E-02
RMM: 4 -0.697519653618E+03 -0.25453E-05 -0.45592E-05 95533 0.149E-02
310 F= -.69751965E+03 E0= -.69752778E+03 d E =-.222539E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697520178297E+03 -0.52722E-03 -0.11045E+00113916 0.253E+00 0.233E-01
RMM: 2 -0.697521486087E+03 -0.13078E-02 -0.17999E-02113880 0.310E-01 0.134E-01
RMM: 3 -0.697521588291E+03 -0.10220E-03 -0.23919E-03114808 0.117E-01 0.669E-02
RMM: 4 -0.697521615888E+03 -0.27597E-04 -0.54202E-04116562 0.514E-02 0.195E-02
RMM: 5 -0.697521624648E+03 -0.87598E-05 -0.10124E-04114304 0.214E-02 0.101E-02
RMM: 6 -0.697521625885E+03 -0.12369E-05 -0.16955E-05 72679 0.897E-03
311 F= -.69752163E+03 E0= -.69752978E+03 d E =-.197227E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697521659099E+03 -0.34451E-04 -0.49466E-02121146 0.536E-01 0.492E-02
RMM: 2 -0.697521718041E+03 -0.58942E-04 -0.81133E-04113880 0.659E-02 0.284E-02
RMM: 3 -0.697521722801E+03 -0.47601E-05 -0.10913E-04114892 0.249E-02 0.142E-02
RMM: 4 -0.697521724039E+03 -0.12378E-05 -0.23929E-05 73989 0.109E-02
312 F= -.69752172E+03 E0= -.69752988E+03 d E =-.207042E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697522218734E+03 -0.49593E-03 -0.86097E-01113922 0.223E+00 0.206E-01
RMM: 2 -0.697523200680E+03 -0.98195E-03 -0.13572E-02113880 0.269E-01 0.119E-01
RMM: 3 -0.697523278762E+03 -0.78082E-04 -0.17761E-03114131 0.101E-01 0.600E-02
RMM: 4 -0.697523301429E+03 -0.22667E-04 -0.42714E-04116333 0.451E-02 0.181E-02
RMM: 5 -0.697523308331E+03 -0.69026E-05 -0.81140E-05106441 0.192E-02
313 F= -.69752331E+03 E0= -.69753147E+03 d E =-.158429E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697523433599E+03 -0.13217E-03 -0.14984E-01114516 0.930E-01 0.856E-02
RMM: 2 -0.697523607202E+03 -0.17360E-03 -0.23955E-03113880 0.113E-01 0.494E-02
RMM: 3 -0.697523622088E+03 -0.14885E-04 -0.32092E-04114203 0.430E-02 0.251E-02
RMM: 4 -0.697523626346E+03 -0.42578E-05 -0.76887E-05110879 0.192E-02
314 F= -.69752363E+03 E0= -.69753179E+03 d E =-.190231E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697522897602E+03 0.72449E-03 -0.59787E-01113922 0.186E+00 0.171E-01
RMM: 2 -0.697523586108E+03 -0.68851E-03 -0.94560E-03113880 0.225E-01 0.992E-02
RMM: 3 -0.697523641819E+03 -0.55711E-04 -0.12419E-03114162 0.847E-02 0.504E-02
RMM: 4 -0.697523657976E+03 -0.16156E-04 -0.29926E-04116762 0.377E-02 0.151E-02
RMM: 5 -0.697523662605E+03 -0.46291E-05 -0.54846E-05 95146 0.159E-02
315 F= -.69752366E+03 E0= -.69753183E+03 d E =-.193857E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697523476187E+03 0.18179E-03 -0.21333E-01114024 0.111E+00 0.103E-01
RMM: 2 -0.697523714660E+03 -0.23847E-03 -0.33300E-03113880 0.133E-01 0.587E-02
RMM: 3 -0.697523732196E+03 -0.17536E-04 -0.42659E-04114052 0.498E-02 0.298E-02
RMM: 4 -0.697523737153E+03 -0.49574E-05 -0.10172E-04115044 0.221E-02 0.903E-03
RMM: 5 -0.697523738762E+03 -0.16082E-05 -0.18154E-05 73121 0.937E-03
316 F= -.69752374E+03 E0= -.69753190E+03 d E =-.201472E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697524353718E+03 -0.61656E-03 -0.89969E-01113898 0.228E+00 0.209E-01
RMM: 2 -0.697525356581E+03 -0.10029E-02 -0.13839E-02113880 0.272E-01 0.119E-01
RMM: 3 -0.697525436339E+03 -0.79758E-04 -0.17748E-03114023 0.101E-01 0.617E-02
RMM: 4 -0.697525458849E+03 -0.22510E-04 -0.43585E-04115525 0.454E-02 0.181E-02
RMM: 5 -0.697525466228E+03 -0.73783E-05 -0.86601E-05109016 0.196E-02
317 F= -.69752547E+03 E0= -.69753362E+03 d E =-.172747E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697525359237E+03 0.99612E-04 -0.52841E-01113904 0.175E+00 0.160E-01
RMM: 2 -0.697525957303E+03 -0.59807E-03 -0.82160E-03113880 0.210E-01 0.918E-02
RMM: 3 -0.697526007770E+03 -0.50467E-04 -0.10760E-03114068 0.790E-02 0.474E-02
RMM: 4 -0.697526022268E+03 -0.14499E-04 -0.26584E-04115842 0.354E-02 0.140E-02
RMM: 5 -0.697526026649E+03 -0.43807E-05 -0.51959E-05 94096 0.154E-02
318 F= -.69752603E+03 E0= -.69753417E+03 d E =-.228789E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697526561256E+03 -0.53899E-03 -0.88766E-01113892 0.227E+00 0.208E-01
RMM: 2 -0.697527597493E+03 -0.10362E-02 -0.14263E-02113880 0.277E-01 0.118E-01
RMM: 3 -0.697527680127E+03 -0.82635E-04 -0.18877E-03114678 0.104E-01 0.600E-02
RMM: 4 -0.697527701567E+03 -0.21439E-04 -0.43437E-04115790 0.461E-02 0.181E-02
RMM: 5 -0.697527708336E+03 -0.67691E-05 -0.84376E-05109347 0.197E-02
319 F= -.69752771E+03 E0= -.69753586E+03 d E =-.168169E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697527780013E+03 -0.78446E-04 -0.50710E-02120174 0.542E-01 0.496E-02
RMM: 2 -0.697527841464E+03 -0.61451E-04 -0.83518E-04113880 0.671E-02 0.284E-02
RMM: 3 -0.697527846869E+03 -0.54057E-05 -0.11504E-04114868 0.256E-02 0.145E-02
RMM: 4 -0.697527848100E+03 -0.12307E-05 -0.25824E-05 74591 0.114E-02
320 F= -.69752785E+03 E0= -.69753601E+03 d E =-.182145E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697527562159E+03 0.28471E-03 -0.20178E-01114150 0.108E+00 0.992E-02
RMM: 2 -0.697527800458E+03 -0.23830E-03 -0.32534E-03113880 0.132E-01 0.565E-02
RMM: 3 -0.697527819393E+03 -0.18934E-04 -0.42978E-04114727 0.496E-02 0.289E-02
RMM: 4 -0.697527824182E+03 -0.47887E-05 -0.99336E-05114535 0.219E-02
321 F= -.69752782E+03 E0= -.69753599E+03 d E =-.179753E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697527772702E+03 0.46691E-04 -0.91709E-02114534 0.730E-01 0.674E-02
RMM: 2 -0.697527873951E+03 -0.10125E-03 -0.14502E-03113880 0.881E-02 0.370E-02
RMM: 3 -0.697527881318E+03 -0.73672E-05 -0.18705E-04114468 0.329E-02 0.187E-02
RMM: 4 -0.697527883489E+03 -0.21710E-05 -0.43268E-05 92908 0.145E-02
322 F= -.69752788E+03 E0= -.69753604E+03 d E =-.185684E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697528164309E+03 -0.28299E-03 -0.98021E-01113886 0.239E+00 0.214E-01
RMM: 2 -0.697529249260E+03 -0.10850E-02 -0.14977E-02113880 0.283E-01 0.123E-01
RMM: 3 -0.697529336280E+03 -0.87020E-04 -0.19291E-03113897 0.106E-01 0.634E-02
RMM: 4 -0.697529361671E+03 -0.25391E-04 -0.47363E-04115515 0.475E-02 0.197E-02
RMM: 5 -0.697529370497E+03 -0.88259E-05 -0.99227E-05115118 0.207E-02
323 F= -.69752937E+03 E0= -.69753755E+03 d E =-.148701E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697529368662E+03 -0.69915E-05 -0.19852E-01114234 0.107E+00 0.962E-02
RMM: 2 -0.697529593876E+03 -0.22521E-03 -0.30778E-03113880 0.128E-01 0.560E-02
RMM: 3 -0.697529613308E+03 -0.19432E-04 -0.40624E-04113935 0.486E-02 0.289E-02
RMM: 4 -0.697529619055E+03 -0.57465E-05 -0.10057E-04115004 0.219E-02 0.887E-03
RMM: 5 -0.697529620692E+03 -0.16368E-05 -0.18819E-05 72687 0.957E-03
324 F= -.69752962E+03 E0= -.69753781E+03 d E =-.173720E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697529930209E+03 -0.31115E-03 -0.91363E-01113892 0.231E+00 0.211E-01
RMM: 2 -0.697531041686E+03 -0.11115E-02 -0.15120E-02113880 0.283E-01 0.118E-01
RMM: 3 -0.697531140203E+03 -0.98516E-04 -0.19718E-03114924 0.106E-01 0.604E-02
RMM: 4 -0.697531162618E+03 -0.22416E-04 -0.44508E-04116156 0.467E-02 0.172E-02
RMM: 5 -0.697531169911E+03 -0.72927E-05 -0.85399E-05109149 0.197E-02
325 F= -.69753117E+03 E0= -.69753935E+03 d E =-.154922E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697531219190E+03 -0.56572E-04 -0.44316E-02120192 0.507E-01 0.463E-02
RMM: 2 -0.697531275281E+03 -0.56092E-04 -0.75262E-04113880 0.632E-02 0.261E-02
RMM: 3 -0.697531280799E+03 -0.55173E-05 -0.10243E-04115053 0.241E-02 0.135E-02
RMM: 4 -0.697531281950E+03 -0.11514E-05 -0.22153E-05 72702 0.106E-02
326 F= -.69753128E+03 E0= -.69753946E+03 d E =-.166126E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697531553370E+03 -0.27257E-03 -0.73850E-01113910 0.208E+00 0.190E-01
RMM: 2 -0.697532487321E+03 -0.93395E-03 -0.12400E-02113880 0.257E-01 0.108E-01
RMM: 3 -0.697532564354E+03 -0.77033E-04 -0.15297E-03113974 0.948E-02 0.573E-02
RMM: 4 -0.697532582459E+03 -0.18105E-04 -0.37158E-04115923 0.423E-02 0.169E-02
RMM: 5 -0.697532588955E+03 -0.64956E-05 -0.74160E-05103744 0.181E-02
327 F= -.69753259E+03 E0= -.69754076E+03 d E =-.130700E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697532619411E+03 -0.36951E-04 -0.22389E-02124575 0.361E-01 0.330E-02
RMM: 2 -0.697532649031E+03 -0.29620E-04 -0.38815E-04113880 0.456E-02 0.190E-02
RMM: 3 -0.697532651928E+03 -0.28974E-05 -0.51136E-05 99585 0.172E-02
328 F= -.69753265E+03 E0= -.69754083E+03 d E =-.136998E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697533082774E+03 -0.43374E-03 -0.50357E-01113922 0.171E+00 0.159E-01
RMM: 2 -0.697533681483E+03 -0.59871E-03 -0.83569E-03113880 0.210E-01 0.901E-02
RMM: 3 -0.697533731342E+03 -0.49859E-04 -0.10527E-03114119 0.783E-02 0.469E-02
RMM: 4 -0.697533745145E+03 -0.13803E-04 -0.25652E-04115697 0.350E-02 0.140E-02
RMM: 5 -0.697533749459E+03 -0.43134E-05 -0.48914E-05 92167 0.150E-02
329 F= -.69753375E+03 E0= -.69754194E+03 d E =-.109753E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697533845312E+03 -0.10017E-03 -0.72304E-02115206 0.646E-01 0.599E-02
RMM: 2 -0.697533932610E+03 -0.87299E-04 -0.12165E-03113880 0.802E-02 0.338E-02
RMM: 3 -0.697533940287E+03 -0.76772E-05 -0.15633E-04114182 0.301E-02 0.177E-02
RMM: 4 -0.697533942390E+03 -0.21021E-05 -0.38165E-05 87127 0.135E-02
330 F= -.69753394E+03 E0= -.69754214E+03 d E =-.129046E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697534495499E+03 -0.55521E-03 -0.52879E-01113910 0.175E+00 0.159E-01
RMM: 2 -0.697535143976E+03 -0.64848E-03 -0.87624E-03113880 0.215E-01 0.919E-02
RMM: 3 -0.697535194709E+03 -0.50734E-04 -0.11079E-03114565 0.798E-02 0.464E-02
RMM: 4 -0.697535208180E+03 -0.13471E-04 -0.25813E-04115806 0.354E-02 0.134E-02
RMM: 5 -0.697535212295E+03 -0.41146E-05 -0.49838E-05 91952 0.150E-02
331 F= -.69753521E+03 E0= -.69754341E+03 d E =-.126991E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697535300469E+03 -0.92288E-04 -0.67008E-02116538 0.623E-01 0.565E-02
RMM: 2 -0.697535384523E+03 -0.84055E-04 -0.11294E-03113880 0.773E-02 0.327E-02
RMM: 3 -0.697535391739E+03 -0.72153E-05 -0.14700E-04114690 0.290E-02 0.166E-02
RMM: 4 -0.697535393567E+03 -0.18280E-05 -0.34105E-05 82691 0.129E-02
332 F= -.69753539E+03 E0= -.69754359E+03 d E =-.145118E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697535897387E+03 -0.50565E-03 -0.36812E-01113916 0.146E+00 0.132E-01
RMM: 2 -0.697536352333E+03 -0.45495E-03 -0.60500E-03113880 0.178E-01 0.771E-02
RMM: 3 -0.697536386544E+03 -0.34212E-04 -0.75714E-04114361 0.662E-02 0.396E-02
RMM: 4 -0.697536395858E+03 -0.93133E-05 -0.17850E-04115455 0.294E-02 0.121E-02
RMM: 5 -0.697536398940E+03 -0.30821E-05 -0.35261E-05 82222 0.127E-02
333 F= -.69753640E+03 E0= -.69754459E+03 d E =-.100537E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697536533189E+03 -0.13733E-03 -0.96224E-02114414 0.747E-01 0.674E-02
RMM: 2 -0.697536653285E+03 -0.12010E-03 -0.15981E-03113880 0.917E-02 0.393E-02
RMM: 3 -0.697536662897E+03 -0.96125E-05 -0.20407E-04114404 0.344E-02 0.202E-02
RMM: 4 -0.697536665532E+03 -0.26350E-05 -0.48578E-05 97064 0.153E-02
334 F= -.69753667E+03 E0= -.69754486E+03 d E =-.127197E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697536172470E+03 0.49043E-03 -0.38420E-01113898 0.149E+00 0.135E-01
RMM: 2 -0.697536649456E+03 -0.47699E-03 -0.63264E-03113880 0.182E-01 0.790E-02
RMM: 3 -0.697536685482E+03 -0.36025E-04 -0.79243E-04114359 0.677E-02 0.407E-02
RMM: 4 -0.697536695340E+03 -0.98584E-05 -0.18771E-04115616 0.301E-02 0.123E-02
RMM: 5 -0.697536698562E+03 -0.32218E-05 -0.36844E-05 83507 0.129E-02
335 F= -.69753670E+03 E0= -.69754489E+03 d E =-.130500E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697536604498E+03 0.90842E-04 -0.11918E-01114036 0.832E-01 0.752E-02
RMM: 2 -0.697536748247E+03 -0.14375E-03 -0.19319E-03113880 0.101E-01 0.435E-02
RMM: 3 -0.697536758056E+03 -0.98083E-05 -0.23508E-04114241 0.370E-02 0.223E-02
RMM: 4 -0.697536760636E+03 -0.25801E-05 -0.54990E-05100983 0.164E-02
336 F= -.69753676E+03 E0= -.69754495E+03 d E =-.136707E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697537118629E+03 -0.36057E-03 -0.31418E-01113922 0.135E+00 0.123E-01
RMM: 2 -0.697537501202E+03 -0.38257E-03 -0.51514E-03113880 0.164E-01 0.686E-02
RMM: 3 -0.697537532632E+03 -0.31430E-04 -0.62555E-04114576 0.602E-02 0.350E-02
RMM: 4 -0.697537539801E+03 -0.71686E-05 -0.14195E-04114323 0.265E-02 0.989E-03
RMM: 5 -0.697537542222E+03 -0.24210E-05 -0.27536E-05 77374 0.114E-02
337 F= -.69753754E+03 E0= -.69754574E+03 d E =-.781586E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697537292735E+03 0.24707E-03 -0.63259E-01113892 0.191E+00 0.174E-01
RMM: 2 -0.697538078241E+03 -0.78551E-03 -0.10471E-02113880 0.233E-01 0.985E-02
RMM: 3 -0.697538145839E+03 -0.67599E-04 -0.12969E-03114744 0.864E-02 0.503E-02
RMM: 4 -0.697538161743E+03 -0.15903E-04 -0.29508E-04115373 0.381E-02 0.141E-02
RMM: 5 -0.697538166957E+03 -0.52147E-05 -0.58558E-05 97166 0.163E-02
338 F= -.69753817E+03 E0= -.69754638E+03 d E =-.140632E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697538102186E+03 0.59557E-04 -0.11492E-01115068 0.814E-01 0.742E-02
RMM: 2 -0.697538246943E+03 -0.14476E-03 -0.19211E-03113880 0.100E-01 0.421E-02
RMM: 3 -0.697538260087E+03 -0.13144E-04 -0.24247E-04114924 0.373E-02 0.215E-02
RMM: 4 -0.697538263092E+03 -0.30044E-05 -0.54553E-05100954 0.164E-02
339 F= -.69753826E+03 E0= -.69754648E+03 d E =-.150246E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697538728140E+03 -0.46805E-03 -0.48016E-01113898 0.167E+00 0.153E-01
RMM: 2 -0.697539327815E+03 -0.59968E-03 -0.80667E-03113880 0.205E-01 0.874E-02
RMM: 3 -0.697539378025E+03 -0.50210E-04 -0.98167E-04114331 0.755E-02 0.460E-02
RMM: 4 -0.697539390106E+03 -0.12082E-04 -0.23004E-04115077 0.335E-02 0.133E-02
RMM: 5 -0.697539394257E+03 -0.41505E-05 -0.46858E-05 90287 0.145E-02
340 F= -.69753939E+03 E0= -.69754763E+03 d E =-.113117E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697539600539E+03 -0.21043E-03 -0.18751E-01113994 0.104E+00 0.956E-02
RMM: 2 -0.697539835220E+03 -0.23468E-03 -0.31670E-03113880 0.129E-01 0.543E-02
RMM: 3 -0.697539855771E+03 -0.20551E-04 -0.39118E-04114368 0.477E-02 0.285E-02
RMM: 4 -0.697539860721E+03 -0.49498E-05 -0.91863E-05113226 0.212E-02
341 F= -.69753986E+03 E0= -.69754811E+03 d E =-.159763E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697539198295E+03 0.65748E-03 -0.74933E-01113892 0.208E+00 0.191E-01
RMM: 2 -0.697540136175E+03 -0.93788E-03 -0.12591E-02113880 0.256E-01 0.109E-01
RMM: 3 -0.697540214572E+03 -0.78397E-04 -0.15321E-03114318 0.944E-02 0.575E-02
RMM: 4 -0.697540233564E+03 -0.18992E-04 -0.35977E-04115087 0.419E-02 0.165E-02
RMM: 5 -0.697540240198E+03 -0.66337E-05 -0.74304E-05103928 0.181E-02
342 F= -.69754024E+03 E0= -.69754851E+03 d E =-.197711E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697540402754E+03 -0.16919E-03 -0.67827E-01113892 0.198E+00 0.179E-01
RMM: 2 -0.697541248538E+03 -0.84578E-03 -0.11241E-02113880 0.242E-01 0.102E-01
RMM: 3 -0.697541321822E+03 -0.73284E-04 -0.14035E-03114659 0.900E-02 0.523E-02
RMM: 4 -0.697541339573E+03 -0.17751E-04 -0.31924E-04115275 0.396E-02 0.152E-02
RMM: 5 -0.697541345524E+03 -0.59512E-05 -0.64797E-05 99740 0.171E-02
343 F= -.69754135E+03 E0= -.69754962E+03 d E =-.110533E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697541464701E+03 -0.12513E-03 -0.18352E-01115332 0.103E+00 0.931E-02
RMM: 2 -0.697541695668E+03 -0.23097E-03 -0.30670E-03113880 0.126E-01 0.531E-02
RMM: 3 -0.697541716322E+03 -0.20654E-04 -0.38711E-04114739 0.472E-02 0.272E-02
RMM: 4 -0.697541721329E+03 -0.50066E-05 -0.87958E-05112496 0.208E-02
344 F= -.69754172E+03 E0= -.69755000E+03 d E =-.148113E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697541052753E+03 0.66357E-03 -0.73311E-01113898 0.206E+00 0.186E-01
RMM: 2 -0.697541974143E+03 -0.92139E-03 -0.12166E-02113880 0.251E-01 0.107E-01
RMM: 3 -0.697542052979E+03 -0.78836E-04 -0.15093E-03114640 0.933E-02 0.549E-02
RMM: 4 -0.697542072346E+03 -0.19367E-04 -0.34518E-04115472 0.410E-02 0.158E-02
RMM: 5 -0.697542078688E+03 -0.63429E-05 -0.68977E-05101374 0.176E-02
345 F= -.69754208E+03 E0= -.69755037E+03 d E =-.183849E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697542047860E+03 0.24486E-04 -0.11389E+00113880 0.257E+00 0.229E-01
RMM: 2 -0.697543453205E+03 -0.14053E-02 -0.18684E-02113880 0.313E-01 0.132E-01
RMM: 3 -0.697543563656E+03 -0.11045E-03 -0.23389E-03114533 0.117E-01 0.659E-02
RMM: 4 -0.697543592578E+03 -0.28922E-04 -0.54287E-04115343 0.517E-02 0.187E-02
RMM: 5 -0.697543602789E+03 -0.10211E-04 -0.11280E-04117868 0.223E-02 0.107E-02
RMM: 6 -0.697543603758E+03 -0.96999E-06 -0.16753E-05 72099 0.923E-03
346 F= -.69754360E+03 E0= -.69755190E+03 d E =-.152507E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697543598915E+03 0.38737E-05 -0.25212E-01114588 0.121E+00 0.108E-01
RMM: 2 -0.697543910815E+03 -0.31190E-03 -0.41457E-03113880 0.147E-01 0.623E-02
RMM: 3 -0.697543934964E+03 -0.24150E-04 -0.51749E-04114560 0.548E-02 0.312E-02
RMM: 4 -0.697543941167E+03 -0.62025E-05 -0.11994E-04114631 0.243E-02 0.887E-03
RMM: 5 -0.697543943124E+03 -0.19568E-05 -0.22589E-05 75208 0.104E-02
347 F= -.69754394E+03 E0= -.69755225E+03 d E =-.186444E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697542534849E+03 0.14063E-02 -0.10086E+00113880 0.241E+00 0.216E-01
RMM: 2 -0.697543779987E+03 -0.12451E-02 -0.16559E-02113880 0.295E-01 0.124E-01
RMM: 3 -0.697543877234E+03 -0.97247E-04 -0.20700E-03114498 0.110E-01 0.620E-02
RMM: 4 -0.697543902996E+03 -0.25763E-04 -0.48305E-04115449 0.487E-02 0.176E-02
RMM: 5 -0.697543912017E+03 -0.90204E-05 -0.99864E-05113619 0.210E-02
348 F= -.69754391E+03 E0= -.69755223E+03 d E =-.183333E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697543465075E+03 0.43792E-03 -0.42810E-01113904 0.157E+00 0.141E-01
RMM: 2 -0.697543986770E+03 -0.52170E-03 -0.69822E-03113880 0.191E-01 0.810E-02
RMM: 3 -0.697544025416E+03 -0.38646E-04 -0.85143E-04114359 0.705E-02 0.405E-02
RMM: 4 -0.697544035630E+03 -0.10214E-04 -0.19806E-04115100 0.312E-02 0.115E-02
RMM: 5 -0.697544039506E+03 -0.38768E-05 -0.40002E-05 84682 0.133E-02
349 F= -.69754404E+03 E0= -.69755235E+03 d E =-.196082E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697543760348E+03 0.27528E-03 -0.13818E+00113880 0.282E+00 0.254E-01
RMM: 2 -0.697545413977E+03 -0.16536E-02 -0.22253E-02113880 0.341E-01 0.146E-01
RMM: 3 -0.697545543073E+03 -0.12910E-03 -0.27668E-03114462 0.127E-01 0.741E-02
RMM: 4 -0.697545577107E+03 -0.34035E-04 -0.64227E-04115251 0.560E-02 0.221E-02
RMM: 5 -0.697545589395E+03 -0.12288E-04 -0.13513E-04121562 0.242E-02 0.120E-02
RMM: 6 -0.697545590703E+03 -0.13073E-05 -0.20011E-05 74592 0.100E-02
350 F= -.69754559E+03 E0= -.69755391E+03 d E =-.155120E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697545160297E+03 0.42910E-03 -0.60892E-01113898 0.187E+00 0.168E-01
RMM: 2 -0.697545895196E+03 -0.73490E-03 -0.98769E-03113880 0.227E-01 0.969E-02
RMM: 3 -0.697545954096E+03 -0.58900E-04 -0.12405E-03114579 0.847E-02 0.494E-02
RMM: 4 -0.697545969473E+03 -0.15377E-04 -0.28719E-04115315 0.374E-02 0.147E-02
RMM: 5 -0.697545974758E+03 -0.52850E-05 -0.58600E-05 96260 0.162E-02
351 F= -.69754597E+03 E0= -.69755430E+03 d E =-.193525E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697545837771E+03 0.13170E-03 -0.13449E+00113880 0.278E+00 0.254E-01
RMM: 2 -0.697547437243E+03 -0.15995E-02 -0.21922E-02113880 0.339E-01 0.144E-01
RMM: 3 -0.697547570674E+03 -0.13343E-03 -0.27338E-03114303 0.126E-01 0.737E-02
RMM: 4 -0.697547606395E+03 -0.35721E-04 -0.65082E-04115202 0.562E-02 0.210E-02
RMM: 5 -0.697547618468E+03 -0.12073E-04 -0.13701E-04121798 0.242E-02 0.115E-02
RMM: 6 -0.697547619670E+03 -0.12028E-05 -0.20080E-05 74980 0.101E-02
352 F= -.69754762E+03 E0= -.69755596E+03 d E =-.164491E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697547546324E+03 0.72143E-04 -0.36701E-01114444 0.145E+00 0.133E-01
RMM: 2 -0.697547983479E+03 -0.43715E-03 -0.59926E-03113880 0.177E-01 0.754E-02
RMM: 3 -0.697548019535E+03 -0.36056E-04 -0.74502E-04114315 0.658E-02 0.387E-02
RMM: 4 -0.697548029055E+03 -0.95197E-05 -0.17726E-04114667 0.293E-02 0.110E-02
RMM: 5 -0.697548032113E+03 -0.30587E-05 -0.35512E-05 82594 0.126E-02
353 F= -.69754803E+03 E0= -.69755638E+03 d E =-.205736E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697545985115E+03 0.20439E-02 -0.14682E+00113880 0.290E+00 0.266E-01
RMM: 2 -0.697547728589E+03 -0.17435E-02 -0.23908E-02113880 0.354E-01 0.151E-01
RMM: 3 -0.697547873673E+03 -0.14508E-03 -0.29795E-03114286 0.132E-01 0.769E-02
RMM: 4 -0.697547912969E+03 -0.39296E-04 -0.71096E-04115251 0.586E-02 0.219E-02
RMM: 5 -0.697547926139E+03 -0.13170E-04 -0.14948E-04122678 0.253E-02 0.120E-02
RMM: 6 -0.697547927436E+03 -0.12966E-05 -0.21621E-05 76383 0.104E-02
354 F= -.69754793E+03 E0= -.69755629E+03 d E =-.195268E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697547254581E+03 0.67156E-03 -0.66629E-01113886 0.195E+00 0.179E-01
RMM: 2 -0.697548041603E+03 -0.78702E-03 -0.10832E-02113880 0.238E-01 0.101E-01
RMM: 3 -0.697548107004E+03 -0.65402E-04 -0.13369E-03114230 0.883E-02 0.519E-02
RMM: 4 -0.697548124383E+03 -0.17378E-04 -0.31654E-04114947 0.393E-02 0.148E-02
RMM: 5 -0.697548130482E+03 -0.60997E-05 -0.66413E-05 99462 0.170E-02
355 F= -.69754813E+03 E0= -.69755648E+03 d E =-.215572E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697548309123E+03 -0.18474E-03 -0.93198E-01113886 0.231E+00 0.212E-01
RMM: 2 -0.697549399537E+03 -0.10904E-02 -0.14987E-02113880 0.280E-01 0.120E-01
RMM: 3 -0.697549486536E+03 -0.87000E-04 -0.18406E-03114077 0.104E-01 0.627E-02
RMM: 4 -0.697549508881E+03 -0.22345E-04 -0.44040E-04114969 0.462E-02 0.187E-02
RMM: 5 -0.697549517403E+03 -0.85218E-05 -0.93523E-05110781 0.200E-02
356 F= -.69754952E+03 E0= -.69755789E+03 d E =-.138692E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697548337401E+03 0.11715E-02 -0.16901E+00113880 0.311E+00 0.285E-01
RMM: 2 -0.697550337248E+03 -0.19998E-02 -0.27403E-02113880 0.379E-01 0.162E-01
RMM: 3 -0.697550505011E+03 -0.16776E-03 -0.34223E-03114155 0.141E-01 0.846E-02
RMM: 4 -0.697550548684E+03 -0.43673E-04 -0.81923E-04115053 0.631E-02 0.252E-02
RMM: 5 -0.697550564888E+03 -0.16204E-04 -0.17727E-04124282 0.275E-02 0.137E-02
RMM: 6 -0.697550566326E+03 -0.14388E-05 -0.24816E-05 79028 0.112E-02
357 F= -.69755057E+03 E0= -.69755897E+03 d E =-.243584E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697541055176E+03 0.95097E-02 -0.67575E+00113880 0.622E+00 0.569E-01
RMM: 2 -0.697549010632E+03 -0.79555E-02 -0.10904E-01113880 0.756E-01 0.324E-01
RMM: 3 -0.697549653465E+03 -0.64283E-03 -0.13503E-02114109 0.281E-01 0.169E-01
RMM: 4 -0.697549824553E+03 -0.17109E-03 -0.32494E-03115088 0.125E-01 0.507E-02
RMM: 5 -0.697549888769E+03 -0.64216E-04 -0.69662E-04124490 0.544E-02 0.276E-02
RMM: 6 -0.697549894776E+03 -0.60068E-05 -0.97510E-05106402 0.223E-02
358 F= -.69754989E+03 E0= -.69755835E+03 d E =-.176429E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697545764546E+03 0.41242E-02 -0.37873E+00113880 0.466E+00 0.427E-01
RMM: 2 -0.697550235880E+03 -0.44713E-02 -0.61411E-02113880 0.567E-01 0.242E-01
RMM: 3 -0.697550611952E+03 -0.37607E-03 -0.76103E-03114118 0.211E-01 0.127E-01
RMM: 4 -0.697550707071E+03 -0.95119E-04 -0.18075E-03114912 0.940E-02 0.378E-02
RMM: 5 -0.697550744285E+03 -0.37214E-04 -0.39439E-04124471 0.409E-02 0.206E-02
RMM: 6 -0.697550747939E+03 -0.36544E-05 -0.54392E-05 96825 0.168E-02
359 F= -.69755075E+03 E0= -.69755916E+03 d E =-.261746E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697550835007E+03 -0.90723E-04 -0.11387E+00113880 0.256E+00 0.232E-01
RMM: 2 -0.697552191903E+03 -0.13569E-02 -0.18281E-02113880 0.310E-01 0.131E-01
RMM: 3 -0.697552306185E+03 -0.11428E-03 -0.22818E-03114358 0.116E-01 0.666E-02
RMM: 4 -0.697552336705E+03 -0.30520E-04 -0.53893E-04115526 0.512E-02 0.194E-02
RMM: 5 -0.697552346781E+03 -0.10076E-04 -0.10985E-04117071 0.220E-02 0.108E-02
RMM: 6 -0.697552347896E+03 -0.11153E-05 -0.16218E-05 71846 0.909E-03
360 F= -.69755235E+03 E0= -.69756075E+03 d E =-.159996E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697550014333E+03 0.23324E-02 -0.26516E+00113880 0.390E+00 0.353E-01
RMM: 2 -0.697553189522E+03 -0.31752E-02 -0.42757E-02113880 0.474E-01 0.201E-01
RMM: 3 -0.697553457727E+03 -0.26820E-03 -0.53683E-03114427 0.177E-01 0.102E-01
RMM: 4 -0.697553529812E+03 -0.72085E-04 -0.12679E-03115637 0.784E-02 0.298E-02
RMM: 5 -0.697553553588E+03 -0.23776E-04 -0.25944E-04123898 0.337E-02 0.167E-02
RMM: 6 -0.697553556102E+03 -0.25140E-05 -0.36815E-05 87262 0.137E-02
361 F= -.69755356E+03 E0= -.69756194E+03 d E =-.280816E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697554226071E+03 -0.67248E-03 -0.57956E-01114306 0.183E+00 0.164E-01
RMM: 2 -0.697554929682E+03 -0.70361E-03 -0.94161E-03113880 0.223E-01 0.939E-02
RMM: 3 -0.697554987852E+03 -0.58170E-04 -0.12062E-03114563 0.840E-02 0.462E-02
RMM: 4 -0.697555004910E+03 -0.17058E-04 -0.28454E-04116440 0.371E-02 0.137E-02
RMM: 5 -0.697555009513E+03 -0.46028E-05 -0.52401E-05 93267 0.157E-02
362 F= -.69755501E+03 E0= -.69756341E+03 d E =-.145341E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697555246050E+03 -0.24114E-03 -0.28576E-01115200 0.128E+00 0.115E-01
RMM: 2 -0.697555595743E+03 -0.34969E-03 -0.46736E-03113880 0.157E-01 0.659E-02
RMM: 3 -0.697555626015E+03 -0.30272E-04 -0.60558E-04114603 0.594E-02 0.324E-02
RMM: 4 -0.697555634730E+03 -0.87151E-05 -0.14244E-04115960 0.263E-02 0.961E-03
RMM: 5 -0.697555636954E+03 -0.22245E-05 -0.25756E-05 76880 0.112E-02
363 F= -.69755564E+03 E0= -.69756404E+03 d E =-.208085E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697554387432E+03 0.12473E-02 -0.11417E+00113904 0.257E+00 0.231E-01
RMM: 2 -0.697555773048E+03 -0.13856E-02 -0.18547E-02113880 0.313E-01 0.132E-01
RMM: 3 -0.697555888364E+03 -0.11532E-03 -0.23761E-03114531 0.118E-01 0.645E-02
RMM: 4 -0.697555922377E+03 -0.34012E-04 -0.56163E-04116397 0.522E-02 0.191E-02
RMM: 5 -0.697555931938E+03 -0.95614E-05 -0.10755E-04117169 0.222E-02 0.105E-02
RMM: 6 -0.697555933093E+03 -0.11547E-05 -0.17156E-05 72192 0.933E-03
364 F= -.69755593E+03 E0= -.69756435E+03 d E =-.237699E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697555811630E+03 0.12031E-03 -0.12510E-01115320 0.849E-01 0.767E-02
RMM: 2 -0.697555961047E+03 -0.14942E-03 -0.20134E-03113880 0.103E-01 0.435E-02
RMM: 3 -0.697555973114E+03 -0.12067E-04 -0.25444E-04114434 0.387E-02 0.213E-02
RMM: 4 -0.697555976641E+03 -0.35272E-05 -0.59585E-05103832 0.171E-02
365 F= -.69755598E+03 E0= -.69756439E+03 d E =-.242054E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697556480567E+03 -0.50745E-03 -0.49322E-01114051 0.168E+00 0.151E-01
RMM: 2 -0.697557046694E+03 -0.56613E-03 -0.77591E-03113880 0.203E-01 0.858E-02
RMM: 3 -0.697557093696E+03 -0.47002E-04 -0.97976E-04114333 0.759E-02 0.433E-02
RMM: 4 -0.697557107006E+03 -0.13311E-04 -0.23284E-04115393 0.337E-02 0.133E-02
RMM: 5 -0.697557111399E+03 -0.43930E-05 -0.46712E-05 89834 0.146E-02
366 F= -.69755711E+03 E0= -.69756554E+03 d E =-.113476E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697556173861E+03 0.93315E-03 -0.16970E+00113880 0.312E+00 0.281E-01
RMM: 2 -0.697558158294E+03 -0.19844E-02 -0.26955E-02113880 0.377E-01 0.161E-01
RMM: 3 -0.697558328724E+03 -0.17043E-03 -0.34417E-03114404 0.142E-01 0.813E-02
RMM: 4 -0.697558377814E+03 -0.49090E-04 -0.82450E-04115855 0.631E-02 0.247E-02
RMM: 5 -0.697558393502E+03 -0.15688E-04 -0.16737E-04122933 0.272E-02 0.137E-02
RMM: 6 -0.697558395253E+03 -0.17512E-05 -0.24784E-05 79289 0.112E-02
367 F= -.69755840E+03 E0= -.69756686E+03 d E =-.241861E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697548998609E+03 0.93949E-02 -0.67852E+00113880 0.625E+00 0.562E-01
RMM: 2 -0.697556904800E+03 -0.79062E-02 -0.10744E-01113880 0.752E-01 0.321E-01
RMM: 3 -0.697557566061E+03 -0.66126E-03 -0.13629E-02114381 0.283E-01 0.163E-01
RMM: 4 -0.697557757320E+03 -0.19126E-03 -0.32697E-03115799 0.125E-01 0.496E-02
RMM: 5 -0.697557819640E+03 -0.62320E-04 -0.66291E-04123994 0.541E-02 0.275E-02
RMM: 6 -0.697557826538E+03 -0.68976E-05 -0.97252E-05105968 0.222E-02
368 F= -.69755783E+03 E0= -.69756636E+03 d E =-.184990E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697554471167E+03 0.33485E-02 -0.32289E+00113880 0.431E+00 0.388E-01
RMM: 2 -0.697558220873E+03 -0.37497E-02 -0.50960E-02113880 0.519E-01 0.221E-01
RMM: 3 -0.697558538451E+03 -0.31758E-03 -0.64651E-03114379 0.195E-01 0.112E-01
RMM: 4 -0.697558627237E+03 -0.88786E-04 -0.15353E-03115610 0.863E-02 0.340E-02
RMM: 5 -0.697558656990E+03 -0.29753E-04 -0.31596E-04123862 0.373E-02 0.190E-02
RMM: 6 -0.697558660190E+03 -0.31997E-05 -0.45403E-05 93104 0.153E-02
369 F= -.69755866E+03 E0= -.69756715E+03 d E =-.268355E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697558917149E+03 -0.26016E-03 -0.12094E+00113880 0.263E+00 0.244E-01
RMM: 2 -0.697560318411E+03 -0.14013E-02 -0.19606E-02113880 0.321E-01 0.136E-01
RMM: 3 -0.697560436572E+03 -0.11816E-03 -0.24391E-03114353 0.119E-01 0.701E-02
RMM: 4 -0.697560468407E+03 -0.31836E-04 -0.58407E-04115274 0.531E-02 0.200E-02
RMM: 5 -0.697560479104E+03 -0.10697E-04 -0.11876E-04119072 0.228E-02 0.110E-02
RMM: 6 -0.697560480247E+03 -0.11432E-05 -0.17498E-05 72616 0.946E-03
370 F= -.69756048E+03 E0= -.69756896E+03 d E =-.182006E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697559527225E+03 0.95188E-03 -0.13897E+00113880 0.282E+00 0.261E-01
RMM: 2 -0.697561153268E+03 -0.16260E-02 -0.22702E-02113880 0.345E-01 0.146E-01
RMM: 3 -0.697561291581E+03 -0.13831E-03 -0.28420E-03114432 0.128E-01 0.755E-02
RMM: 4 -0.697561328475E+03 -0.36895E-04 -0.67793E-04115431 0.571E-02 0.216E-02
RMM: 5 -0.697561340843E+03 -0.12368E-04 -0.13757E-04122334 0.244E-02 0.119E-02
RMM: 6 -0.697561342147E+03 -0.13043E-05 -0.19928E-05 74742 0.100E-02
371 F= -.69756134E+03 E0= -.69756982E+03 d E =-.268196E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697561856069E+03 -0.51523E-03 -0.10211E+00113904 0.242E+00 0.226E-01
RMM: 2 -0.697563061877E+03 -0.12058E-02 -0.16888E-02113880 0.298E-01 0.128E-01
RMM: 3 -0.697563157742E+03 -0.95865E-04 -0.20852E-03114126 0.111E-01 0.677E-02
RMM: 4 -0.697563182863E+03 -0.25120E-04 -0.50598E-04115104 0.496E-02 0.200E-02
RMM: 5 -0.697563192295E+03 -0.94325E-05 -0.10620E-04115649 0.215E-02 0.103E-02
RMM: 6 -0.697563193258E+03 -0.96271E-06 -0.15806E-05 71348 0.898E-03
372 F= -.69756319E+03 E0= -.69757168E+03 d E =-.185111E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697563141884E+03 0.50412E-04 -0.50483E-01114492 0.170E+00 0.159E-01
RMM: 2 -0.697563739354E+03 -0.59747E-03 -0.83639E-03113880 0.210E-01 0.899E-02
RMM: 3 -0.697563787172E+03 -0.47818E-04 -0.10342E-03114142 0.780E-02 0.476E-02
RMM: 4 -0.697563799628E+03 -0.12457E-04 -0.25084E-04115109 0.349E-02 0.141E-02
RMM: 5 -0.697563804162E+03 -0.45336E-05 -0.51458E-05 92941 0.152E-02
373 F= -.69756380E+03 E0= -.69757230E+03 d E =-.246201E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697563781323E+03 0.18305E-04 -0.81677E-02120120 0.684E-01 0.638E-02
RMM: 2 -0.697563879496E+03 -0.98172E-04 -0.13665E-03113880 0.851E-02 0.363E-02
RMM: 3 -0.697563888095E+03 -0.85996E-05 -0.17379E-04114237 0.319E-02 0.192E-02
RMM: 4 -0.697563890384E+03 -0.22886E-05 -0.42412E-05 91129 0.143E-02
374 F= -.69756389E+03 E0= -.69757239E+03 d E =-.254824E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697563964132E+03 -0.76037E-04 -0.12139E+00113898 0.264E+00 0.242E-01
RMM: 2 -0.697565435268E+03 -0.14711E-02 -0.19883E-02113880 0.324E-01 0.137E-01
RMM: 3 -0.697565555083E+03 -0.11982E-03 -0.24598E-03114296 0.120E-01 0.691E-02
RMM: 4 -0.697565589164E+03 -0.34080E-04 -0.58686E-04115499 0.534E-02 0.197E-02
RMM: 5 -0.697565599847E+03 -0.10683E-04 -0.11892E-04118704 0.229E-02 0.110E-02
RMM: 6 -0.697565600935E+03 -0.10884E-05 -0.17383E-05 72374 0.939E-03
375 F= -.69756560E+03 E0= -.69757412E+03 d E =-.171055E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697565569827E+03 0.30020E-04 -0.39863E-01114114 0.151E+00 0.138E-01
RMM: 2 -0.697566050960E+03 -0.48113E-03 -0.65289E-03113880 0.185E-01 0.784E-02
RMM: 3 -0.697566089941E+03 -0.38981E-04 -0.80973E-04114322 0.691E-02 0.395E-02
RMM: 4 -0.697566100895E+03 -0.10954E-04 -0.19263E-04115338 0.306E-02 0.113E-02
RMM: 5 -0.697566104212E+03 -0.33169E-05 -0.37659E-05 83896 0.131E-02
376 F= -.69756610E+03 E0= -.69757463E+03 d E =-.221383E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697563968727E+03 0.21322E-02 -0.15947E+00113892 0.302E+00 0.277E-01
RMM: 2 -0.697565887310E+03 -0.19186E-02 -0.26046E-02113880 0.371E-01 0.157E-01
RMM: 3 -0.697566043940E+03 -0.15663E-03 -0.32371E-03114299 0.138E-01 0.787E-02
RMM: 4 -0.697566088772E+03 -0.44832E-04 -0.77162E-04115416 0.613E-02 0.225E-02
RMM: 5 -0.697566103035E+03 -0.14263E-04 -0.15847E-04122936 0.264E-02 0.126E-02
RMM: 6 -0.697566104534E+03 -0.14991E-05 -0.23378E-05 78137 0.108E-02
377 F= -.69756610E+03 E0= -.69757465E+03 d E =-.221415E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697565542332E+03 0.56070E-03 -0.54427E-01113910 0.177E+00 0.162E-01
RMM: 2 -0.697566192780E+03 -0.65045E-03 -0.88578E-03113880 0.216E-01 0.915E-02
RMM: 3 -0.697566245615E+03 -0.52835E-04 -0.10915E-03114252 0.803E-02 0.460E-02
RMM: 4 -0.697566260516E+03 -0.14901E-04 -0.25748E-04115022 0.356E-02 0.132E-02
RMM: 5 -0.697566265469E+03 -0.49525E-05 -0.52460E-05 92932 0.154E-02
378 F= -.69756627E+03 E0= -.69757480E+03 d E =-.237508E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697566099965E+03 0.16055E-03 -0.16040E+00113898 0.303E+00 0.276E-01
RMM: 2 -0.697568015748E+03 -0.19158E-02 -0.25921E-02113880 0.371E-01 0.156E-01
RMM: 3 -0.697568168106E+03 -0.15236E-03 -0.32245E-03114313 0.138E-01 0.763E-02
RMM: 4 -0.697568214402E+03 -0.46296E-04 -0.76087E-04115615 0.609E-02 0.228E-02
RMM: 5 -0.697568227825E+03 -0.13423E-04 -0.14902E-04122409 0.259E-02 0.129E-02
RMM: 6 -0.697568229367E+03 -0.15411E-05 -0.23025E-05 76954 0.108E-02
379 F= -.69756823E+03 E0= -.69757676E+03 d E =-.196390E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697567397875E+03 0.82995E-03 -0.11222E+00113892 0.253E+00 0.231E-01
RMM: 2 -0.697568752262E+03 -0.13544E-02 -0.18279E-02113880 0.311E-01 0.131E-01
RMM: 3 -0.697568863206E+03 -0.11094E-03 -0.22974E-03114398 0.117E-01 0.641E-02
RMM: 4 -0.697568896323E+03 -0.33117E-04 -0.53912E-04115711 0.513E-02 0.191E-02
RMM: 5 -0.697568905792E+03 -0.94690E-05 -0.10553E-04116188 0.219E-02 0.108E-02
RMM: 6 -0.697568906890E+03 -0.10985E-05 -0.16472E-05 71772 0.915E-03
380 F= -.69756891E+03 E0= -.69757744E+03 d E =-.264142E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697569001851E+03 -0.96060E-04 -0.14975E+00113892 0.292E+00 0.268E-01
RMM: 2 -0.697570781297E+03 -0.17794E-02 -0.24585E-02113880 0.361E-01 0.154E-01
RMM: 3 -0.697570914806E+03 -0.13351E-03 -0.30342E-03114035 0.135E-01 0.768E-02
RMM: 4 -0.697570956777E+03 -0.41971E-04 -0.73024E-04115025 0.599E-02 0.231E-02
RMM: 5 -0.697570970839E+03 -0.14062E-04 -0.15623E-04123168 0.259E-02 0.130E-02
RMM: 6 -0.697570972300E+03 -0.14611E-05 -0.22028E-05 76247 0.106E-02
381 F= -.69757097E+03 E0= -.69757950E+03 d E =-.206541E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697570836292E+03 0.13455E-03 -0.45284E-01114456 0.161E+00 0.147E-01
RMM: 2 -0.697571374194E+03 -0.53790E-03 -0.74351E-03113880 0.198E-01 0.847E-02
RMM: 3 -0.697571414874E+03 -0.40680E-04 -0.92103E-04114069 0.741E-02 0.422E-02
RMM: 4 -0.697571427703E+03 -0.12829E-04 -0.22144E-04115031 0.330E-02 0.127E-02
RMM: 5 -0.697571431760E+03 -0.40567E-05 -0.45509E-05 87815 0.143E-02
382 F= -.69757143E+03 E0= -.69757995E+03 d E =-.252487E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697571225655E+03 0.20205E-03 -0.18891E+00113886 0.327E+00 0.301E-01
RMM: 2 -0.697573464319E+03 -0.22387E-02 -0.31092E-02113880 0.405E-01 0.170E-01
RMM: 3 -0.697573645222E+03 -0.18090E-03 -0.38708E-03114492 0.151E-01 0.828E-02
RMM: 4 -0.697573696904E+03 -0.51681E-04 -0.88046E-04115288 0.661E-02 0.234E-02
RMM: 5 -0.697573713032E+03 -0.16128E-04 -0.18017E-04122953 0.282E-02 0.133E-02
RMM: 6 -0.697573714884E+03 -0.18516E-05 -0.26315E-05 80705 0.117E-02
383 F= -.69757371E+03 E0= -.69758226E+03 d E =-.228312E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697573614775E+03 0.98258E-04 -0.44431E-01114576 0.159E+00 0.146E-01
RMM: 2 -0.697574146013E+03 -0.53124E-03 -0.73628E-03113880 0.197E-01 0.825E-02
RMM: 3 -0.697574188863E+03 -0.42850E-04 -0.91532E-04114537 0.732E-02 0.404E-02
RMM: 4 -0.697574200838E+03 -0.11975E-04 -0.20733E-04115427 0.321E-02 0.115E-02
RMM: 5 -0.697574204419E+03 -0.35815E-05 -0.40312E-05 85307 0.135E-02
384 F= -.69757420E+03 E0= -.69758276E+03 d E =-.277266E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697573767223E+03 0.43361E-03 -0.18532E+00113886 0.325E+00 0.295E-01
RMM: 2 -0.697575959747E+03 -0.21925E-02 -0.30431E-02113880 0.400E-01 0.172E-01
RMM: 3 -0.697576101775E+03 -0.14203E-03 -0.36957E-03113886 0.148E-01 0.871E-02
RMM: 4 -0.697576145643E+03 -0.43868E-04 -0.88754E-04114514 0.663E-02 0.264E-02
RMM: 5 -0.697576163818E+03 -0.18175E-04 -0.19686E-04124153 0.289E-02 0.149E-02
RMM: 6 -0.697576165651E+03 -0.18331E-05 -0.27748E-05 81176 0.119E-02
385 F= -.69757617E+03 E0= -.69758473E+03 d E =-.196123E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697576162015E+03 0.18024E-05 -0.78284E-02120120 0.667E-01 0.606E-02
RMM: 2 -0.697576254979E+03 -0.92964E-04 -0.12922E-03113880 0.825E-02 0.354E-02
RMM: 3 -0.697576260920E+03 -0.59412E-05 -0.15824E-04113896 0.306E-02 0.180E-02
RMM: 4 -0.697576262770E+03 -0.18503E-05 -0.38474E-05 88302 0.137E-02
386 F= -.69757626E+03 E0= -.69758483E+03 d E =-.205835E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697576059535E+03 0.20138E-03 -0.13204E+00113928 0.273E+00 0.251E-01
RMM: 2 -0.697577623452E+03 -0.15639E-02 -0.21519E-02113880 0.336E-01 0.143E-01
RMM: 3 -0.697577737361E+03 -0.11391E-03 -0.26310E-03114402 0.124E-01 0.692E-02
RMM: 4 -0.697577771399E+03 -0.34038E-04 -0.59728E-04115051 0.545E-02 0.196E-02
RMM: 5 -0.697577782314E+03 -0.10915E-04 -0.12345E-04119480 0.232E-02 0.110E-02
RMM: 6 -0.697577783526E+03 -0.12119E-05 -0.18536E-05 73446 0.972E-03
387 F= -.69757778E+03 E0= -.69758634E+03 d E =-.152076E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697577645553E+03 0.13676E-03 -0.44592E-01113982 0.159E+00 0.146E-01
RMM: 2 -0.697578174043E+03 -0.52849E-03 -0.72918E-03113880 0.196E-01 0.826E-02
RMM: 3 -0.697578212187E+03 -0.38143E-04 -0.89147E-04114393 0.724E-02 0.402E-02
RMM: 4 -0.697578223349E+03 -0.11162E-04 -0.20247E-04114928 0.317E-02 0.115E-02
RMM: 5 -0.697578226843E+03 -0.34941E-05 -0.40245E-05 85223 0.135E-02
388 F= -.69757823E+03 E0= -.69758677E+03 d E =-.196407E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697575782557E+03 0.24408E-02 -0.17839E+00113886 0.318E+00 0.291E-01
RMM: 2 -0.697577894616E+03 -0.21121E-02 -0.29129E-02113880 0.392E-01 0.165E-01
RMM: 3 -0.697578050365E+03 -0.15575E-03 -0.35710E-03114380 0.145E-01 0.799E-02
RMM: 4 -0.697578096557E+03 -0.46192E-04 -0.81065E-04115012 0.636E-02 0.227E-02
RMM: 5 -0.697578111492E+03 -0.14934E-04 -0.16862E-04122323 0.272E-02 0.128E-02
RMM: 6 -0.697578113207E+03 -0.17156E-05 -0.25581E-05 79277 0.114E-02
389 F= -.69757811E+03 E0= -.69758664E+03 d E =-.185044E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697577321630E+03 0.78986E-03 -0.77667E-01113892 0.210E+00 0.193E-01
RMM: 2 -0.697578243567E+03 -0.92194E-03 -0.12706E-02113880 0.258E-01 0.109E-01
RMM: 3 -0.697578312237E+03 -0.68670E-04 -0.15413E-03114354 0.952E-02 0.531E-02
RMM: 4 -0.697578332077E+03 -0.19840E-04 -0.34579E-04114715 0.417E-02 0.152E-02
RMM: 5 -0.697578338747E+03 -0.66700E-05 -0.71793E-05102086 0.179E-02
390 F= -.69757834E+03 E0= -.69758687E+03 d E =-.207598E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697578208056E+03 0.12402E-03 -0.14958E+00113892 0.292E+00 0.268E-01
RMM: 2 -0.697579985089E+03 -0.17770E-02 -0.24450E-02113880 0.359E-01 0.152E-01
RMM: 3 -0.697580111939E+03 -0.12685E-03 -0.29562E-03114325 0.132E-01 0.739E-02
RMM: 4 -0.697580150051E+03 -0.38111E-04 -0.67860E-04114809 0.581E-02 0.214E-02
RMM: 5 -0.697580162762E+03 -0.12711E-04 -0.14038E-04121521 0.249E-02 0.123E-02
RMM: 6 -0.697580164240E+03 -0.14783E-05 -0.21109E-05 75057 0.104E-02
391 F= -.69758016E+03 E0= -.69758871E+03 d E =-.182549E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697579226418E+03 0.93634E-03 -0.12431E+00113892 0.266E+00 0.244E-01
RMM: 2 -0.697580714182E+03 -0.14878E-02 -0.20443E-02113880 0.328E-01 0.139E-01
RMM: 3 -0.697580823873E+03 -0.10969E-03 -0.25006E-03114408 0.122E-01 0.676E-02
RMM: 4 -0.697580856375E+03 -0.32502E-04 -0.57120E-04114838 0.534E-02 0.196E-02
RMM: 5 -0.697580867148E+03 -0.10773E-04 -0.11914E-04119174 0.229E-02 0.112E-02
RMM: 6 -0.697580868409E+03 -0.12610E-05 -0.17886E-05 72833 0.957E-03
392 F= -.69758087E+03 E0= -.69758942E+03 d E =-.252966E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697581067116E+03 -0.19997E-03 -0.12085E+00113892 0.263E+00 0.240E-01
RMM: 2 -0.697582540408E+03 -0.14733E-02 -0.20376E-02113880 0.327E-01 0.140E-01
RMM: 3 -0.697582633975E+03 -0.93567E-04 -0.24657E-03113932 0.122E-01 0.701E-02
RMM: 4 -0.697582663794E+03 -0.29819E-04 -0.58728E-04114624 0.542E-02 0.214E-02
RMM: 5 -0.697582675740E+03 -0.11946E-04 -0.12838E-04120224 0.234E-02 0.124E-02
RMM: 6 -0.697582677029E+03 -0.12896E-05 -0.18583E-05 72804 0.973E-03
393 F= -.69758268E+03 E0= -.69759126E+03 d E =-.180862E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697582641388E+03 0.34352E-04 -0.23799E-01115872 0.117E+00 0.106E-01
RMM: 2 -0.697582932147E+03 -0.29076E-03 -0.40227E-03113880 0.145E-01 0.622E-02
RMM: 3 -0.697582950796E+03 -0.18649E-04 -0.48826E-04113942 0.540E-02 0.312E-02
RMM: 4 -0.697582956772E+03 -0.59762E-05 -0.11651E-04113661 0.241E-02 0.950E-03
RMM: 5 -0.697582958909E+03 -0.21374E-05 -0.23240E-05 76000 0.104E-02
394 F= -.69758296E+03 E0= -.69759155E+03 d E =-.209050E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697582959860E+03 -0.30883E-05 -0.12245E+00113916 0.264E+00 0.244E-01
RMM: 2 -0.697584495714E+03 -0.15359E-02 -0.21014E-02113880 0.332E-01 0.138E-01
RMM: 3 -0.697584615646E+03 -0.11993E-03 -0.26275E-03115014 0.123E-01 0.657E-02
RMM: 4 -0.697584647150E+03 -0.31504E-04 -0.55427E-04115300 0.532E-02 0.181E-02
RMM: 5 -0.697584657059E+03 -0.99085E-05 -0.11202E-04116500 0.225E-02 0.102E-02
RMM: 6 -0.697584658339E+03 -0.12802E-05 -0.16935E-05 72309 0.929E-03
395 F= -.69758466E+03 E0= -.69759325E+03 d E =-.169943E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697584612720E+03 0.44339E-04 -0.24275E-01114768 0.118E+00 0.109E-01
RMM: 2 -0.697584919602E+03 -0.30688E-03 -0.41913E-03113880 0.148E-01 0.613E-02
RMM: 3 -0.697584943634E+03 -0.24032E-04 -0.52388E-04115078 0.549E-02 0.294E-02
RMM: 4 -0.697584949877E+03 -0.62434E-05 -0.10985E-04113589 0.237E-02 0.815E-03
RMM: 5 -0.697584951632E+03 -0.17544E-05 -0.20197E-05 74748 0.994E-03
396 F= -.69758495E+03 E0= -.69759354E+03 d E =-.199272E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697585180597E+03 -0.23072E-03 -0.11896E+00113910 0.260E+00 0.241E-01
RMM: 2 -0.697586596158E+03 -0.14156E-02 -0.19743E-02113880 0.323E-01 0.139E-01
RMM: 3 -0.697586695506E+03 -0.99348E-04 -0.24088E-03113967 0.120E-01 0.689E-02
RMM: 4 -0.697586728488E+03 -0.32982E-04 -0.57859E-04114886 0.535E-02 0.206E-02
RMM: 5 -0.697586739462E+03 -0.10973E-04 -0.12259E-04119243 0.231E-02 0.115E-02
RMM: 6 -0.697586740610E+03 -0.11479E-05 -0.18050E-05 72807 0.962E-03
397 F= -.69758674E+03 E0= -.69759533E+03 d E =-.178898E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697586693480E+03 0.45981E-04 -0.36294E-01114282 0.144E+00 0.133E-01
RMM: 2 -0.697587124726E+03 -0.43125E-03 -0.60181E-03113880 0.178E-01 0.767E-02
RMM: 3 -0.697587154666E+03 -0.29940E-04 -0.73367E-04113971 0.662E-02 0.382E-02
RMM: 4 -0.697587164702E+03 -0.10036E-04 -0.17630E-04114542 0.295E-02 0.114E-02
RMM: 5 -0.697587167822E+03 -0.31204E-05 -0.35475E-05 83072 0.127E-02
398 F= -.69758717E+03 E0= -.69759575E+03 d E =-.221619E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697587662251E+03 -0.49755E-03 -0.10264E+00113904 0.241E+00 0.226E-01
RMM: 2 -0.697588827080E+03 -0.11648E-02 -0.16757E-02113880 0.299E-01 0.129E-01
RMM: 3 -0.697588911706E+03 -0.84626E-04 -0.20914E-03114141 0.111E-01 0.633E-02
RMM: 4 -0.697588940298E+03 -0.28592E-04 -0.49609E-04115058 0.495E-02 0.188E-02
RMM: 5 -0.697588949496E+03 -0.91981E-05 -0.10354E-04115137 0.213E-02 0.104E-02
RMM: 6 -0.697588950495E+03 -0.99911E-06 -0.15623E-05 71636 0.897E-03
399 F= -.69758895E+03 E0= -.69759752E+03 d E =-.178267E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697588956616E+03 -0.71198E-05 -0.53388E-01113964 0.174E+00 0.163E-01
RMM: 2 -0.697589563339E+03 -0.60672E-03 -0.87259E-03113880 0.215E-01 0.928E-02
RMM: 3 -0.697589606600E+03 -0.43261E-04 -0.10845E-03114144 0.802E-02 0.459E-02
RMM: 4 -0.697589621130E+03 -0.14529E-04 -0.25682E-04115120 0.356E-02 0.136E-02
RMM: 5 -0.697589625695E+03 -0.45657E-05 -0.51972E-05 92095 0.152E-02
400 F= -.69758963E+03 E0= -.69759819E+03 d E =-.245787E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697586766736E+03 0.28544E-02 -0.21361E+00113892 0.347E+00 0.326E-01
RMM: 2 -0.697589188869E+03 -0.24221E-02 -0.34854E-02113880 0.431E-01 0.186E-01
RMM: 3 -0.697589363503E+03 -0.17463E-03 -0.43460E-03114150 0.161E-01 0.913E-02
RMM: 4 -0.697589422551E+03 -0.59048E-04 -0.10259E-03115001 0.713E-02 0.271E-02
RMM: 5 -0.697589441948E+03 -0.19397E-04 -0.21661E-04123414 0.307E-02 0.150E-02
RMM: 6 -0.697589444047E+03 -0.20987E-05 -0.31856E-05 84311 0.128E-02
401 F= -.69758944E+03 E0= -.69759799E+03 d E =-.227622E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697588653789E+03 0.78816E-03 -0.91407E-01113898 0.227E+00 0.214E-01
RMM: 2 -0.697589687184E+03 -0.10334E-02 -0.14911E-02113880 0.281E-01 0.121E-01
RMM: 3 -0.697589760937E+03 -0.73753E-04 -0.18400E-03114126 0.105E-01 0.599E-02
RMM: 4 -0.697589785254E+03 -0.24317E-04 -0.43025E-04114665 0.464E-02 0.178E-02
RMM: 5 -0.697589793775E+03 -0.85211E-05 -0.91208E-05110983 0.200E-02
402 F= -.69758979E+03 E0= -.69759835E+03 d E =-.262595E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697590256797E+03 -0.47154E-03 -0.44698E-01113940 0.159E+00 0.149E-01
RMM: 2 -0.697590764844E+03 -0.50805E-03 -0.72064E-03113880 0.195E-01 0.837E-02
RMM: 3 -0.697590802777E+03 -0.37933E-04 -0.89766E-04114692 0.723E-02 0.404E-02
RMM: 4 -0.697590814305E+03 -0.11528E-04 -0.19804E-04115059 0.315E-02 0.119E-02
RMM: 5 -0.697590817763E+03 -0.34575E-05 -0.38302E-05 83326 0.133E-02
403 F= -.69759082E+03 E0= -.69759939E+03 d E =-.102399E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697589854936E+03 0.95937E-03 -0.16859E+00113886 0.309E+00 0.289E-01
RMM: 2 -0.697591794576E+03 -0.19396E-02 -0.27413E-02113880 0.381E-01 0.163E-01
RMM: 3 -0.697591949865E+03 -0.15529E-03 -0.34919E-03114759 0.142E-01 0.786E-02
RMM: 4 -0.697591997153E+03 -0.47288E-04 -0.77291E-04115344 0.623E-02 0.232E-02
RMM: 5 -0.697592011145E+03 -0.13993E-04 -0.15536E-04121887 0.266E-02 0.126E-02
RMM: 6 -0.697592013000E+03 -0.18543E-05 -0.24514E-05 77637 0.112E-02
404 F= -.69759201E+03 E0= -.69760060E+03 d E =-.221922E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697582648005E+03 0.93631E-02 -0.67416E+00113880 0.617E+00 0.578E-01
RMM: 2 -0.697590380894E+03 -0.77329E-02 -0.10927E-01113880 0.760E-01 0.325E-01
RMM: 3 -0.697590982458E+03 -0.60156E-03 -0.13853E-02114727 0.284E-01 0.158E-01
RMM: 4 -0.697591167148E+03 -0.18469E-03 -0.30708E-03115316 0.124E-01 0.468E-02
RMM: 5 -0.697591222811E+03 -0.55663E-04 -0.61548E-04123021 0.528E-02 0.256E-02
RMM: 6 -0.697591230123E+03 -0.73122E-05 -0.96470E-05107514 0.223E-02
405 F= -.69759123E+03 E0= -.69759985E+03 d E =-.143635E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697587648992E+03 0.35738E-02 -0.35869E+00113880 0.450E+00 0.421E-01
RMM: 2 -0.697591765382E+03 -0.41164E-02 -0.58156E-02113880 0.554E-01 0.237E-01
RMM: 3 -0.697592091804E+03 -0.32642E-03 -0.73388E-03114720 0.207E-01 0.115E-01
RMM: 4 -0.697592188823E+03 -0.97019E-04 -0.16112E-03115109 0.901E-02 0.338E-02
RMM: 5 -0.697592218589E+03 -0.29766E-04 -0.32779E-04122938 0.385E-02 0.185E-02
RMM: 6 -0.697592222359E+03 -0.37697E-05 -0.50377E-05 94952 0.162E-02
406 F= -.69759222E+03 E0= -.69760082E+03 d E =-.242858E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697592791231E+03 -0.57264E-03 -0.83574E-01113898 0.218E+00 0.201E-01
RMM: 2 -0.697593729321E+03 -0.93809E-03 -0.13238E-02113880 0.265E-01 0.116E-01
RMM: 3 -0.697593796997E+03 -0.67675E-04 -0.16572E-03114083 0.995E-02 0.548E-02
RMM: 4 -0.697593822175E+03 -0.25178E-04 -0.39536E-04115085 0.441E-02 0.167E-02
RMM: 5 -0.697593829398E+03 -0.72228E-05 -0.79739E-05106820 0.190E-02
407 F= -.69759383E+03 E0= -.69760244E+03 d E =-.160704E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697591804208E+03 0.20180E-02 -0.30215E+00113880 0.414E+00 0.382E-01
RMM: 2 -0.697595225936E+03 -0.34217E-02 -0.48223E-02113880 0.506E-01 0.220E-01
RMM: 3 -0.697595477099E+03 -0.25116E-03 -0.61017E-03114102 0.191E-01 0.105E-01
RMM: 4 -0.697595571658E+03 -0.94558E-04 -0.14652E-03115366 0.847E-02 0.320E-02
RMM: 5 -0.697595598559E+03 -0.26901E-04 -0.29669E-04123060 0.365E-02 0.183E-02
RMM: 6 -0.697595601769E+03 -0.32109E-05 -0.45621E-05 93999 0.155E-02
408 F= -.69759560E+03 E0= -.69760423E+03 d E =-.337941E-02
N E dE d eps ncg rms rms(c)