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 -0.89539E-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 -0.265094564819E+03 0.31098E+03 -0.20392E+04121305 0.346E+02 0.136E+02
RMM: 2 -0.498046249042E+03 -0.23295E+03 -0.26036E+03124331 0.119E+02 0.296E+01
RMM: 3 -0.538925594361E+03 -0.40879E+02 -0.43521E+02129150 0.458E+01 0.410E+01
RMM: 4 -0.535585911963E+03 0.33397E+01 -0.78014E+01127853 0.181E+01 0.348E+01
RMM: 5 -0.531733394910E+03 0.38525E+01 -0.32332E+01114693 0.118E+01 0.212E+01
RMM: 6 -0.531201749072E+03 0.53165E+00 -0.86010E+00120529 0.573E+00 0.139E+01
RMM: 7 -0.530889057261E+03 0.31269E+00 -0.32998E+00121725 0.288E+00 0.101E+01
RMM: 8 -0.530699652381E+03 0.18940E+00 -0.17006E+00116156 0.236E+00 0.531E+00
RMM: 9 -0.530672649070E+03 0.27003E-01 -0.42902E-01118480 0.128E+00 0.222E+00
RMM: 10 -0.530627976041E+03 0.44673E-01 -0.13753E-01117629 0.707E-01 0.103E+00
RMM: 11 -0.530625086964E+03 0.28891E-02 -0.63906E-02117851 0.454E-01 0.524E-01
RMM: 12 -0.530626823695E+03 -0.17367E-02 -0.21613E-02124063 0.248E-01 0.389E-01
RMM: 13 -0.530625312052E+03 0.15116E-02 -0.71045E-03114580 0.163E-01 0.119E-01
RMM: 14 -0.530625773355E+03 -0.46130E-03 -0.32492E-03117773 0.108E-01 0.127E-01
RMM: 15 -0.530625485288E+03 0.28807E-03 -0.64985E-04115533 0.494E-02 0.396E-02
RMM: 16 -0.530625495558E+03 -0.10269E-04 -0.37477E-04114368 0.352E-02 0.248E-02
RMM: 17 -0.530625492161E+03 0.33961E-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 -0.610398027969E+03 -0.61889E+02 -0.82358E+02121794 0.643E+01 0.188E+01
RMM: 3 -0.625371534965E+03 -0.14974E+02 -0.17945E+02125822 0.263E+01 0.264E+01
RMM: 4 -0.622062013083E+03 0.33095E+01 -0.19366E+01115472 0.101E+01 0.224E+01
RMM: 5 -0.621283639248E+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 -0.620721656820E+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 0.66112E-04 -0.11311E-02120311 0.213E-01 0.234E-01
RMM: 12 -0.620715623492E+03 -0.38852E-03 -0.33842E-03126437 0.109E-01 0.162E-01
RMM: 13 -0.620715514262E+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 -0.620715361112E+03 -0.88115E-05 -0.10032E-04109530 0.193E-02 0.119E-02
RMM: 16 -0.620715362227E+03 -0.11150E-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 -0.401817779638E+03 0.21890E+03 -0.15553E+04121368 0.296E+02 0.987E+01
RMM: 2 -0.529556397241E+03 -0.12774E+03 -0.14757E+03117134 0.895E+01 0.271E+01
RMM: 3 -0.545183091497E+03 -0.15627E+02 -0.23206E+02130929 0.338E+01 0.295E+01
RMM: 4 -0.544110094149E+03 0.10730E+01 -0.57190E+01125980 0.146E+01 0.199E+01
RMM: 5 -0.544391259802E+03 -0.28117E+00 -0.15077E+01120169 0.730E+00 0.954E+00
RMM: 6 -0.544373100834E+03 0.18159E-01 -0.30375E+00123555 0.345E+00 0.555E+00
RMM: 7 -0.544342715132E+03 0.30386E-01 -0.83019E-01119519 0.181E+00 0.171E+00
RMM: 8 -0.544349973960E+03 -0.72588E-02 -0.22419E-01131915 0.910E-01 0.782E-01
RMM: 9 -0.544351044312E+03 -0.10704E-02 -0.43716E-02120864 0.411E-01 0.365E-01
RMM: 10 -0.544352148273E+03 -0.11040E-02 -0.12801E-02121004 0.220E-01 0.145E-01
RMM: 11 -0.544352377513E+03 -0.22924E-03 -0.36934E-03134010 0.111E-01 0.735E-02
RMM: 12 -0.544352434907E+03 -0.57394E-04 -0.55501E-04126921 0.417E-02 0.365E-02
RMM: 13 -0.544352440953E+03 -0.60466E-05 -0.11878E-04113003 0.208E-02 0.123E-02
RMM: 14 -0.544352443115E+03 -0.21620E-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 -0.581618872399E+03 -0.37266E+02 -0.80060E+03114906 0.215E+02 0.586E+01
RMM: 2 -0.634057865424E+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 -0.635934109617E+03 0.26455E+01 -0.15126E+01116782 0.890E+00 0.196E+01
RMM: 5 -0.635442619044E+03 0.49149E+00 -0.77765E+00114969 0.567E+00 0.109E+01
RMM: 6 -0.635120885996E+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 -0.634976695193E+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 -0.21743E-05 -0.11513E-04110693 0.191E-02 0.115E-02
RMM: 15 -0.634977527241E+03 -0.59623E-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 -0.518795194940E+03 0.11618E+03 -0.11080E+04114456 0.248E+02 0.867E+01
RMM: 2 -0.610337173885E+03 -0.91542E+02 -0.10488E+03121129 0.755E+01 0.214E+01
RMM: 3 -0.616817932159E+03 -0.64808E+01 -0.13770E+02116558 0.272E+01 0.257E+01
RMM: 4 -0.614918642083E+03 0.18993E+01 -0.23728E+01116092 0.116E+01 0.192E+01
RMM: 5 -0.614533844832E+03 0.38480E+00 -0.70105E+00118542 0.588E+00 0.131E+01
RMM: 6 -0.614547986815E+03 -0.14142E-01 -0.15359E+00122289 0.266E+00 0.110E+01
RMM: 7 -0.614435167768E+03 0.11282E+00 -0.86697E-01113914 0.191E+00 0.300E+00
RMM: 8 -0.614387707867E+03 0.47460E-01 -0.31858E-01114748 0.117E+00 0.142E+00
RMM: 9 -0.614398979018E+03 -0.11271E-01 -0.12173E-01119740 0.669E-01 0.141E+00
RMM: 10 -0.614382832556E+03 0.16146E-01 -0.37884E-02114569 0.382E-01 0.553E-01
RMM: 11 -0.614381554968E+03 0.12776E-02 -0.28351E-02114944 0.313E-01 0.191E-01
RMM: 12 -0.614381590740E+03 -0.35772E-04 -0.36696E-03121265 0.119E-01 0.104E-01
RMM: 13 -0.614381730931E+03 -0.14019E-03 -0.12986E-03124043 0.619E-02 0.489E-02
RMM: 14 -0.614381756723E+03 -0.25792E-04 -0.21298E-04125744 0.266E-02 0.272E-02
RMM: 15 -0.614381755428E+03 0.12946E-05 -0.46745E-05 93725 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 -0.616721074234E+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 -0.644804602648E+03 -0.30801E+01 -0.43784E+01120004 0.145E+01 0.118E+01
RMM: 4 -0.644652322021E+03 0.15228E+00 -0.64651E+00116998 0.593E+00 0.872E+00
RMM: 5 -0.644536129443E+03 0.11619E+00 -0.15341E+00114424 0.284E+00 0.545E+00
RMM: 6 -0.644441406584E+03 0.94723E-01 -0.43555E-01117515 0.144E+00 0.305E+00
RMM: 7 -0.644427197054E+03 0.14210E-01 -0.21677E-01114019 0.102E+00 0.681E-01
RMM: 8 -0.644428888149E+03 -0.16911E-02 -0.51242E-02128390 0.452E-01 0.413E-01
RMM: 9 -0.644428237955E+03 0.65019E-03 -0.10835E-02114794 0.219E-01 0.165E-01
RMM: 10 -0.644428499648E+03 -0.26169E-03 -0.33877E-03124792 0.112E-01 0.106E-01
RMM: 11 -0.644428484625E+03 0.15022E-04 -0.57918E-04118538 0.503E-02 0.367E-02
RMM: 12 -0.644428494072E+03 -0.94463E-05 -0.18109E-04117834 0.271E-02 0.166E-02
RMM: 13 -0.644428496582E+03 -0.25106E-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 -0.638424052564E+03 0.60044E+01 -0.37564E+03115779 0.148E+02 0.312E+01
RMM: 2 -0.651063706551E+03 -0.12640E+02 -0.15396E+02113880 0.289E+01 0.105E+01
RMM: 3 -0.652557539599E+03 -0.14938E+01 -0.21999E+01115126 0.108E+01 0.101E+01
RMM: 4 -0.651675481025E+03 0.88206E+00 -0.39356E+00121091 0.450E+00 0.928E+00
RMM: 5 -0.652971150529E+03 -0.12957E+01 -0.20278E+00114252 0.278E+00 0.766E+00
RMM: 6 -0.651389986060E+03 0.15812E+01 -0.79587E-01114088 0.178E+00 0.288E+00
RMM: 7 -0.651455837417E+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 -0.651346559768E+03 0.97733E-03 -0.32613E-02114495 0.308E-01 0.856E-01
RMM: 10 -0.651346231715E+03 0.32805E-03 -0.11643E-02114514 0.200E-01 0.700E-01
RMM: 11 -0.651340687780E+03 0.55439E-02 -0.22334E-03117692 0.998E-02 0.110E-01
RMM: 12 -0.651340885337E+03 -0.19756E-03 -0.62105E-04123107 0.445E-02 0.803E-02
RMM: 13 -0.651340929603E+03 -0.44266E-04 -0.26284E-04115267 0.247E-02 0.897E-02
RMM: 14 -0.651340858595E+03 0.71008E-04 -0.52196E-05 91706 0.153E-02 0.133E-02
RMM: 15 -0.651340860844E+03 -0.22494E-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 -0.654092001880E+03 -0.27511E+01 -0.50785E+02114030 0.553E+01 0.622E+00
RMM: 2 -0.655045189042E+03 -0.95319E+00 -0.13295E+01113880 0.837E+00 0.398E+00
RMM: 3 -0.655146982732E+03 -0.10179E+00 -0.18425E+00115731 0.313E+00 0.423E+00
RMM: 4 -0.655002635181E+03 0.14435E+00 -0.38644E-01118295 0.138E+00 0.242E+00
RMM: 5 -0.654978768460E+03 0.23867E-01 -0.10099E-01114408 0.732E-01 0.127E+00
RMM: 6 -0.654972533342E+03 0.62351E-02 -0.52221E-02114182 0.497E-01 0.292E-01
RMM: 7 -0.654972847977E+03 -0.31463E-03 -0.10865E-02125638 0.214E-01 0.124E-01
RMM: 8 -0.654972824814E+03 0.23163E-04 -0.18960E-03121192 0.910E-02 0.710E-02
RMM: 9 -0.654972831763E+03 -0.69493E-05 -0.42627E-04117785 0.429E-02 0.292E-02
RMM: 10 -0.654972838496E+03 -0.67321E-05 -0.10551E-04116841 0.205E-02 0.114E-02
RMM: 11 -0.654972839925E+03 -0.14294E-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 -0.648800426307E+03 0.61724E+01 -0.27927E+03116220 0.128E+02 0.239E+01
RMM: 2 -0.658994251737E+03 -0.10194E+02 -0.12062E+02113880 0.247E+01 0.896E+00
RMM: 3 -0.660392352352E+03 -0.13981E+01 -0.17056E+01116351 0.914E+00 0.855E+00
RMM: 4 -0.659818583528E+03 0.57377E+00 -0.27768E+00120018 0.373E+00 0.747E+00
RMM: 5 -0.660980540377E+03 -0.11620E+01 -0.19666E+00114637 0.264E+00 0.752E+00
RMM: 6 -0.659632447484E+03 0.13481E+01 -0.54335E-01114137 0.149E+00 0.338E+00
RMM: 7 -0.659623073608E+03 0.93739E-02 -0.42579E-01115246 0.100E+00 0.216E+00
RMM: 8 -0.659543317010E+03 0.79757E-01 -0.62215E-02115690 0.524E-01 0.657E-01
RMM: 9 -0.659539186347E+03 0.41307E-02 -0.19277E-02117116 0.250E-01 0.256E-01
RMM: 10 -0.659539564325E+03 -0.37798E-03 -0.55262E-03120623 0.139E-01 0.192E-01
RMM: 11 -0.659540151307E+03 -0.58698E-03 -0.17356E-03116119 0.738E-02 0.248E-01
RMM: 12 -0.659539420452E+03 0.73085E-03 -0.53352E-04114267 0.416E-02 0.788E-02
RMM: 13 -0.659539402570E+03 0.17882E-04 -0.12018E-04114262 0.226E-02 0.242E-02
RMM: 14 -0.659539405069E+03 -0.24989E-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 -0.661056131499E+03 -0.15167E+01 -0.38824E+02114150 0.482E+01 0.543E+00
RMM: 2 -0.662131916476E+03 -0.10758E+01 -0.11063E+01113880 0.743E+00 0.417E+00
RMM: 3 -0.661898910022E+03 0.23301E+00 -0.15429E+00116814 0.275E+00 0.238E+00
RMM: 4 -0.661876806962E+03 0.22103E-01 -0.28337E-01119159 0.117E+00 0.167E+00
RMM: 5 -0.661870425021E+03 0.63819E-02 -0.90489E-02114174 0.662E-01 0.118E+00
RMM: 6 -0.661864947496E+03 0.54775E-02 -0.31299E-02114706 0.388E-01 0.718E-01
RMM: 7 -0.661860883870E+03 0.40636E-02 -0.83879E-03116904 0.194E-01 0.321E-01
RMM: 8 -0.661860374635E+03 0.50923E-03 -0.22097E-03119655 0.963E-02 0.188E-01
RMM: 9 -0.661860081163E+03 0.29347E-03 -0.64880E-04119524 0.493E-02 0.598E-02
RMM: 10 -0.661860077942E+03 0.32207E-05 -0.16406E-04121401 0.238E-02 0.156E-02
RMM: 11 -0.661860083183E+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 -0.655272860293E+03 0.65872E+01 -0.22910E+03113880 0.116E+02 0.176E+01
RMM: 2 -0.663274128443E+03 -0.80013E+01 -0.95695E+01113880 0.215E+01 0.686E+00
RMM: 3 -0.663914584643E+03 -0.64046E+00 -0.12107E+01116000 0.776E+00 0.587E+00
RMM: 4 -0.664020646966E+03 -0.10606E+00 -0.21287E+00119311 0.324E+00 0.544E+00
RMM: 5 -0.663794913185E+03 0.22573E+00 -0.58264E-01114216 0.176E+00 0.228E+00
RMM: 6 -0.663784351193E+03 0.10562E-01 -0.20231E-01115211 0.991E-01 0.722E-01
RMM: 7 -0.663785654455E+03 -0.13033E-02 -0.45080E-02122867 0.445E-01 0.306E-01
RMM: 8 -0.663785569302E+03 0.85152E-04 -0.94828E-03125291 0.197E-01 0.177E-01
RMM: 9 -0.663785507107E+03 0.62195E-04 -0.19308E-03116185 0.907E-02 0.726E-02
RMM: 10 -0.663785561905E+03 -0.54797E-04 -0.57382E-04123853 0.471E-02 0.274E-02
RMM: 11 -0.663785566709E+03 -0.48040E-05 -0.11945E-04116260 0.221E-02 0.127E-02
RMM: 12 -0.663785569983E+03 -0.32740E-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 -0.665406011205E+03 -0.16204E+01 -0.45859E+02113880 0.522E+01 0.527E+00
RMM: 2 -0.666341522232E+03 -0.93551E+00 -0.12468E+01113880 0.777E+00 0.300E+00
RMM: 3 -0.666470226301E+03 -0.12870E+00 -0.16923E+00117535 0.282E+00 0.279E+00
RMM: 4 -0.666411627301E+03 0.58599E-01 -0.29934E-01118833 0.118E+00 0.177E+00
RMM: 5 -0.666393785428E+03 0.17842E-01 -0.83936E-02113952 0.659E-01 0.763E-01
RMM: 6 -0.666391432472E+03 0.23530E-02 -0.31276E-02115044 0.392E-01 0.231E-01
RMM: 7 -0.666391534178E+03 -0.10171E-03 -0.65331E-03121667 0.172E-01 0.105E-01
RMM: 8 -0.666391539263E+03 -0.50851E-05 -0.15785E-03121184 0.797E-02 0.620E-02
RMM: 9 -0.666391546466E+03 -0.72031E-05 -0.35774E-04120953 0.373E-02 0.211E-02
RMM: 10 -0.666391555087E+03 -0.86209E-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 -0.666785064140E+03 -0.39352E+00 -0.90941E+02113880 0.736E+01 0.933E+00
RMM: 2 -0.669030778498E+03 -0.22457E+01 -0.28819E+01113880 0.120E+01 0.430E+00
RMM: 3 -0.669219969191E+03 -0.18919E+00 -0.40742E+00117397 0.443E+00 0.302E+00
RMM: 4 -0.669222772209E+03 -0.28030E-02 -0.69748E-01118164 0.189E+00 0.230E+00
RMM: 5 -0.669182546812E+03 0.40225E-01 -0.16653E-01114562 0.910E-01 0.996E-01
RMM: 6 -0.669180181283E+03 0.23655E-02 -0.52132E-02116306 0.513E-01 0.300E-01
RMM: 7 -0.669181021622E+03 -0.84034E-03 -0.13904E-02126823 0.242E-01 0.123E-01
RMM: 8 -0.669181110118E+03 -0.88496E-04 -0.23561E-03126985 0.976E-02 0.676E-02
RMM: 9 -0.669181140233E+03 -0.30115E-04 -0.51217E-04115112 0.472E-02 0.199E-02
RMM: 10 -0.669181143296E+03 -0.30632E-05 -0.12234E-04108312 0.222E-02 0.104E-02
RMM: 11 -0.669181145943E+03 -0.26462E-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 -0.669613682352E+03 -0.43254E+00 -0.74484E+01114390 0.211E+01 0.202E+00
RMM: 2 -0.669747955744E+03 -0.13427E+00 -0.18912E+00113880 0.310E+00 0.123E+00
RMM: 3 -0.669752806605E+03 -0.48509E-02 -0.24008E-01116319 0.112E+00 0.730E-01
RMM: 4 -0.669752133678E+03 0.67293E-03 -0.53386E-02118618 0.504E-01 0.354E-01
RMM: 5 -0.669752533902E+03 -0.40022E-03 -0.10372E-02120691 0.208E-01 0.241E-01
RMM: 6 -0.669752099963E+03 0.43394E-03 -0.20472E-03118087 0.985E-02 0.810E-02
RMM: 7 -0.669752139293E+03 -0.39330E-04 -0.55627E-04124659 0.477E-02 0.290E-02
RMM: 8 -0.669752143509E+03 -0.42168E-05 -0.10613E-04112569 0.206E-02 0.121E-02
RMM: 9 -0.669752144885E+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 -0.671158875180E+03 -0.14067E+01 -0.68122E+02113880 0.631E+01 0.675E+00
RMM: 2 -0.672747001360E+03 -0.15881E+01 -0.19708E+01113880 0.977E+00 0.347E+00
RMM: 3 -0.672911077496E+03 -0.16408E+00 -0.27442E+00117177 0.362E+00 0.244E+00
RMM: 4 -0.672912470507E+03 -0.13930E-02 -0.45615E-01118176 0.152E+00 0.156E+00
RMM: 5 -0.672901902340E+03 0.10568E-01 -0.10546E-01115323 0.718E-01 0.637E-01
RMM: 6 -0.672902270059E+03 -0.36772E-03 -0.30479E-02118686 0.378E-01 0.225E-01
RMM: 7 -0.672902648596E+03 -0.37854E-03 -0.75518E-03124736 0.177E-01 0.102E-01
RMM: 8 -0.672902682197E+03 -0.33601E-04 -0.13622E-03128359 0.737E-02 0.539E-02
RMM: 9 -0.672902698270E+03 -0.16073E-04 -0.32622E-04114674 0.369E-02 0.170E-02
RMM: 10 -0.672902699659E+03 -0.13886E-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 -0.672904652093E+03 -0.19538E-02 -0.10233E+00131937 0.245E+00 0.231E-01
RMM: 2 -0.672906522037E+03 -0.18699E-02 -0.24084E-02113880 0.346E-01 0.128E-01
RMM: 3 -0.672906645301E+03 -0.12326E-03 -0.28710E-03116052 0.124E-01 0.725E-02
RMM: 4 -0.672906657034E+03 -0.11733E-04 -0.65103E-04118171 0.558E-02 0.301E-02
RMM: 5 -0.672906663611E+03 -0.65775E-05 -0.13432E-04119337 0.236E-02 0.165E-02
RMM: 6 -0.672906663742E+03 -0.13042E-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 -0.674506802635E+03 -0.16001E+01 -0.55641E+02113880 0.571E+01 0.602E+00
RMM: 2 -0.675585682495E+03 -0.10789E+01 -0.14184E+01113880 0.842E+00 0.315E+00
RMM: 3 -0.675675364644E+03 -0.89682E-01 -0.18782E+00116421 0.310E+00 0.205E+00
RMM: 4 -0.675669054159E+03 0.63105E-02 -0.37131E-01117514 0.138E+00 0.905E-01
RMM: 5 -0.675673463228E+03 -0.44091E-02 -0.75967E-02121658 0.590E-01 0.354E-01
RMM: 6 -0.675674674610E+03 -0.12114E-02 -0.15277E-02123210 0.270E-01 0.174E-01
RMM: 7 -0.675674797790E+03 -0.12318E-03 -0.32079E-03127527 0.115E-01 0.825E-02
RMM: 8 -0.675674815219E+03 -0.17429E-04 -0.55875E-04120864 0.501E-02 0.307E-02
RMM: 9 -0.675674829559E+03 -0.14340E-04 -0.16050E-04116681 0.249E-02 0.136E-02
RMM: 10 -0.675674830283E+03 -0.72387E-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 -0.675692016459E+03 -0.17187E-01 -0.75845E+00125484 0.669E+00 0.620E-01
RMM: 2 -0.675703608256E+03 -0.11592E-01 -0.16040E-01113880 0.905E-01 0.355E-01
RMM: 3 -0.675704217820E+03 -0.60956E-03 -0.19644E-02115833 0.328E-01 0.194E-01
RMM: 4 -0.675704302414E+03 -0.84594E-04 -0.47824E-03118354 0.151E-01 0.711E-02
RMM: 5 -0.675704365687E+03 -0.63273E-04 -0.92535E-04123464 0.627E-02 0.400E-02
RMM: 6 -0.675704371795E+03 -0.61084E-05 -0.17190E-04122028 0.279E-02 0.193E-02
RMM: 7 -0.675704374755E+03 -0.29604E-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 -0.676882552361E+03 -0.11782E+01 -0.50390E+02113880 0.543E+01 0.579E+00
RMM: 2 -0.677839920344E+03 -0.95737E+00 -0.13107E+01113880 0.796E+00 0.312E+00
RMM: 3 -0.677903481196E+03 -0.63561E-01 -0.17241E+00116792 0.293E+00 0.199E+00
RMM: 4 -0.677890651271E+03 0.12830E-01 -0.32956E-01117024 0.130E+00 0.893E-01
RMM: 5 -0.677893048683E+03 -0.23974E-02 -0.67796E-02120298 0.556E-01 0.377E-01
RMM: 6 -0.677894115739E+03 -0.10671E-02 -0.14973E-02123125 0.263E-01 0.133E-01
RMM: 7 -0.677894327527E+03 -0.21179E-03 -0.29879E-03129599 0.111E-01 0.677E-02
RMM: 8 -0.677894359371E+03 -0.31844E-04 -0.50827E-04120716 0.457E-02 0.210E-02
RMM: 9 -0.677894368188E+03 -0.88174E-05 -0.10908E-04104223 0.199E-02 0.113E-02
RMM: 10 -0.677894368944E+03 -0.75576E-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 -0.677900856078E+03 -0.64879E-02 -0.17904E+00125574 0.325E+00 0.311E-01
RMM: 2 -0.677903718998E+03 -0.28629E-02 -0.40454E-02113880 0.449E-01 0.185E-01
RMM: 3 -0.677903809366E+03 -0.90368E-04 -0.47386E-03115602 0.161E-01 0.111E-01
RMM: 4 -0.677903775357E+03 0.34009E-04 -0.11878E-03116409 0.761E-02 0.403E-02
RMM: 5 -0.677903787322E+03 -0.11965E-04 -0.23348E-04121896 0.313E-02 0.194E-02
RMM: 6 -0.677903789775E+03 -0.24538E-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 -0.679198715464E+03 -0.12949E+01 -0.30012E+02113880 0.422E+01 0.434E+00
RMM: 2 -0.679661769733E+03 -0.46305E+00 -0.68749E+00113880 0.602E+00 0.239E+00
RMM: 3 -0.679673519183E+03 -0.11749E-01 -0.86941E-01115481 0.222E+00 0.136E+00
RMM: 4 -0.679673973774E+03 -0.45459E-03 -0.21451E-01117873 0.103E+00 0.570E-01
RMM: 5 -0.679676652210E+03 -0.26784E-02 -0.38429E-02122727 0.418E-01 0.242E-01
RMM: 6 -0.679677304324E+03 -0.65211E-03 -0.75809E-03123249 0.188E-01 0.654E-02
RMM: 7 -0.679677427959E+03 -0.12363E-03 -0.15442E-03131163 0.787E-02 0.355E-02
RMM: 8 -0.679677449687E+03 -0.21729E-04 -0.24245E-04117501 0.303E-02 0.126E-02
RMM: 9 -0.679677453597E+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 -0.679678707483E+03 -0.12578E-02 -0.25918E-01132486 0.125E+00 0.114E-01
RMM: 2 -0.679679100748E+03 -0.39327E-03 -0.56849E-03113880 0.173E-01 0.697E-02
RMM: 3 -0.679679106240E+03 -0.54912E-05 -0.69504E-04115037 0.632E-02 0.379E-02
RMM: 4 -0.679679108331E+03 -0.20918E-05 -0.17984E-04118171 0.295E-02 0.143E-02
RMM: 5 -0.679679110275E+03 -0.19437E-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 -0.680768936314E+03 -0.10898E+01 -0.19584E+02113880 0.339E+01 0.341E+00
RMM: 2 -0.681048374362E+03 -0.27944E+00 -0.41372E+00113880 0.468E+00 0.200E+00
RMM: 3 -0.681043777708E+03 0.45967E-02 -0.50555E-01114080 0.174E+00 0.114E+00
RMM: 4 -0.681042424968E+03 0.13527E-02 -0.13367E-01116581 0.822E-01 0.458E-01
RMM: 5 -0.681044346995E+03 -0.19220E-02 -0.24693E-02122536 0.330E-01 0.189E-01
RMM: 6 -0.681044756745E+03 -0.40975E-03 -0.45233E-03121715 0.147E-01 0.455E-02
RMM: 7 -0.681044841894E+03 -0.85149E-04 -0.97509E-04130605 0.618E-02 0.252E-02
RMM: 8 -0.681044854242E+03 -0.12348E-04 -0.14083E-04106357 0.228E-02 0.111E-02
RMM: 9 -0.681044855765E+03 -0.15227E-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 -0.681047054815E+03 -0.22006E-02 -0.43979E-01129957 0.160E+00 0.151E-01
RMM: 2 -0.681047637169E+03 -0.58235E-03 -0.88764E-03113880 0.217E-01 0.944E-02
RMM: 3 -0.681047620323E+03 0.16846E-04 -0.11040E-03113966 0.809E-02 0.466E-02
RMM: 4 -0.681047625332E+03 -0.50085E-05 -0.30070E-04117420 0.382E-02 0.157E-02
RMM: 5 -0.681047629350E+03 -0.40184E-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 -0.681779626707E+03 -0.73200E+00 -0.16782E+02113880 0.312E+01 0.317E+00
RMM: 2 -0.682042830579E+03 -0.26320E+00 -0.37515E+00113880 0.445E+00 0.183E+00
RMM: 3 -0.682043876565E+03 -0.10460E-02 -0.45813E-01114992 0.163E+00 0.106E+00
RMM: 4 -0.682042710563E+03 0.11660E-02 -0.10807E-01117226 0.744E-01 0.427E-01
RMM: 5 -0.682044184866E+03 -0.14743E-02 -0.19337E-02120985 0.298E-01 0.166E-01
RMM: 6 -0.682044537604E+03 -0.35274E-03 -0.37442E-03124018 0.133E-01 0.459E-02
RMM: 7 -0.682044604015E+03 -0.66411E-04 -0.77050E-04127672 0.553E-02 0.221E-02
RMM: 8 -0.682044616106E+03 -0.12091E-04 -0.12702E-04101333 0.211E-02 0.103E-02
RMM: 9 -0.682044617690E+03 -0.15843E-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 -0.682045661478E+03 -0.10454E-02 -0.27657E-01130497 0.127E+00 0.120E-01
RMM: 2 -0.682046074701E+03 -0.41322E-03 -0.59455E-03113880 0.176E-01 0.731E-02
RMM: 3 -0.682046075260E+03 -0.55899E-06 -0.73703E-04115081 0.650E-02 0.378E-02
RMM: 4 -0.682046076337E+03 -0.10767E-05 -0.17801E-04117530 0.297E-02 0.126E-02
RMM: 5 -0.682046078568E+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 -0.682796922128E+03 -0.75085E+00 -0.15888E+02113880 0.300E+01 0.313E+00
RMM: 2 -0.682990936795E+03 -0.19401E+00 -0.29845E+00113880 0.405E+00 0.168E+00
RMM: 3 -0.682992078469E+03 -0.11417E-02 -0.36513E-01114045 0.149E+00 0.933E-01
RMM: 4 -0.682993297044E+03 -0.12186E-02 -0.93163E-02116569 0.685E-01 0.382E-01
RMM: 5 -0.682994659957E+03 -0.13629E-02 -0.16608E-02120856 0.277E-01 0.160E-01
RMM: 6 -0.682994954642E+03 -0.29468E-03 -0.31343E-03122026 0.123E-01 0.388E-02
RMM: 7 -0.682995003208E+03 -0.48565E-04 -0.65924E-04125090 0.529E-02 0.232E-02
RMM: 8 -0.682995015055E+03 -0.11847E-04 -0.12950E-04107560 0.221E-02 0.104E-02
RMM: 9 -0.682995016027E+03 -0.97188E-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 -0.683013414998E+03 -0.18400E-01 -0.57252E+00124215 0.571E+00 0.550E-01
RMM: 2 -0.683020231064E+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 -0.683020322189E+03 -0.44997E-04 -0.60026E-04121055 0.518E-02 0.265E-02
RMM: 6 -0.683020331607E+03 -0.94178E-05 -0.11265E-04112069 0.231E-02 0.737E-03
RMM: 7 -0.683020333171E+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 -0.683532156556E+03 -0.51182E+00 -0.15253E+02113880 0.296E+01 0.305E+00
RMM: 2 -0.683743014872E+03 -0.21086E+00 -0.31289E+00113880 0.408E+00 0.178E+00
RMM: 3 -0.683742396439E+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 -0.683742799829E+03 -0.87097E-05 -0.10567E-04100999 0.204E-02 0.100E-02
RMM: 9 -0.683742801129E+03 -0.12998E-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 -0.683744635039E+03 -0.54533E-03 -0.84386E-03113880 0.213E-01 0.939E-02
RMM: 3 -0.683744629230E+03 0.58088E-05 -0.10675E-03113893 0.790E-02 0.480E-02
RMM: 4 -0.683744634499E+03 -0.52692E-05 -0.29443E-04116167 0.377E-02 0.155E-02
RMM: 5 -0.683744638619E+03 -0.41195E-05 -0.55949E-05 94257 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 -0.684320850321E+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 -0.684323429684E+03 -0.56552E-04 -0.69826E-04126735 0.534E-02 0.217E-02
RMM: 8 -0.684323441031E+03 -0.11347E-04 -0.11722E-04101404 0.206E-02 0.875E-03
RMM: 9 -0.684323442452E+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 -0.684323631611E+03 -0.19058E-03 -0.87754E-02131772 0.709E-01 0.691E-02
RMM: 2 -0.684323750412E+03 -0.11880E-03 -0.17402E-03113880 0.956E-02 0.401E-02
RMM: 3 -0.684323751640E+03 -0.12282E-05 -0.21727E-04114691 0.354E-02 0.193E-02
RMM: 4 -0.684323753051E+03 -0.14113E-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 -0.684706486385E+03 -0.38273E+00 -0.13654E+02113880 0.279E+01 0.292E+00
RMM: 2 -0.684880959464E+03 -0.17447E+00 -0.26667E+00113880 0.377E+00 0.161E+00
RMM: 3 -0.684882894161E+03 -0.19347E-02 -0.33742E-01114327 0.141E+00 0.837E-01
RMM: 4 -0.684884297806E+03 -0.14036E-02 -0.83720E-02116719 0.646E-01 0.295E-01
RMM: 5 -0.684885541548E+03 -0.12437E-02 -0.15263E-02121570 0.259E-01 0.133E-01
RMM: 6 -0.684885776006E+03 -0.23446E-03 -0.27969E-03123067 0.114E-01 0.423E-02
RMM: 7 -0.684885823474E+03 -0.47468E-04 -0.55884E-04126485 0.478E-02 0.199E-02
RMM: 8 -0.684885830819E+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 -0.684886130731E+03 -0.30726E-03 -0.10427E-01131919 0.775E-01 0.764E-02
RMM: 2 -0.684886263098E+03 -0.13237E-03 -0.20537E-03113880 0.104E-01 0.449E-02
RMM: 3 -0.684886262614E+03 0.48388E-06 -0.26207E-04114069 0.391E-02 0.216E-02
RMM: 4 -0.684886264431E+03 -0.18168E-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 -0.685237786748E+03 -0.35152E+00 -0.12382E+02113880 0.267E+01 0.273E+00
RMM: 2 -0.685413168850E+03 -0.17538E+00 -0.25454E+00113880 0.364E+00 0.161E+00
RMM: 3 -0.685415969479E+03 -0.28006E-02 -0.30422E-01113896 0.134E+00 0.913E-01
RMM: 4 -0.685416138835E+03 -0.16936E-03 -0.77927E-02115812 0.624E-01 0.325E-01
RMM: 5 -0.685417488933E+03 -0.13501E-02 -0.15884E-02123228 0.258E-01 0.138E-01
RMM: 6 -0.685417709943E+03 -0.22101E-03 -0.26737E-03123678 0.112E-01 0.478E-02
RMM: 7 -0.685417756618E+03 -0.46675E-04 -0.51391E-04128099 0.455E-02 0.164E-02
RMM: 8 -0.685417762338E+03 -0.57200E-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 -0.685422102069E+03 -0.43455E-02 -0.21361E+00124242 0.350E+00 0.346E-01
RMM: 2 -0.685424842865E+03 -0.27408E-02 -0.41200E-02113880 0.466E-01 0.209E-01
RMM: 3 -0.685424866782E+03 -0.23917E-04 -0.50286E-03113880 0.172E-01 0.105E-01
RMM: 4 -0.685424897635E+03 -0.30852E-04 -0.13102E-03116042 0.800E-02 0.328E-02
RMM: 5 -0.685424919616E+03 -0.21981E-04 -0.26442E-04122546 0.329E-02 0.161E-02
RMM: 6 -0.685424923337E+03 -0.37212E-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 -0.685790279080E+03 -0.36536E+00 -0.99989E+01113880 0.238E+01 0.243E+00
RMM: 2 -0.685924352134E+03 -0.13407E+00 -0.19498E+00113880 0.320E+00 0.134E+00
RMM: 3 -0.685930765360E+03 -0.64132E-02 -0.24516E-01114498 0.120E+00 0.708E-01
RMM: 4 -0.685932737766E+03 -0.19724E-02 -0.57129E-02117208 0.532E-01 0.247E-01
RMM: 5 -0.685933660947E+03 -0.92318E-03 -0.10493E-02122121 0.219E-01 0.106E-01
RMM: 6 -0.685933827256E+03 -0.16631E-03 -0.18680E-03122804 0.943E-02 0.312E-02
RMM: 7 -0.685933860995E+03 -0.33739E-04 -0.40551E-04127790 0.406E-02 0.162E-02
RMM: 8 -0.685933865672E+03 -0.46770E-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 -0.685960442599E+03 -0.26582E-01 -0.24380E+01113904 0.118E+01 0.117E+00
RMM: 2 -0.685992275310E+03 -0.31833E-01 -0.46341E-01113880 0.156E+00 0.656E-01
RMM: 3 -0.685993714168E+03 -0.14389E-02 -0.58114E-02114455 0.582E-01 0.329E-01
RMM: 4 -0.685994272026E+03 -0.55786E-03 -0.13663E-02117203 0.259E-01 0.110E-01
RMM: 5 -0.685994483363E+03 -0.21134E-03 -0.24845E-03122422 0.106E-01 0.504E-02
RMM: 6 -0.685994521261E+03 -0.37898E-04 -0.42982E-04120621 0.453E-02 0.140E-02
RMM: 7 -0.685994528698E+03 -0.74369E-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 -0.686412483656E+03 -0.41796E+00 -0.98085E+01113880 0.235E+01 0.235E+00
RMM: 2 -0.686537439673E+03 -0.12496E+00 -0.17645E+00113880 0.305E+00 0.128E+00
RMM: 3 -0.686543426739E+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 -0.686546463778E+03 -0.93846E-03 -0.10477E-02124337 0.211E-01 0.103E-01
RMM: 6 -0.686546590086E+03 -0.12631E-03 -0.15498E-03120158 0.876E-02 0.270E-02
RMM: 7 -0.686546622288E+03 -0.32202E-04 -0.38159E-04128023 0.393E-02 0.179E-02
RMM: 8 -0.686546626075E+03 -0.37867E-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 -0.686604566453E+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 -0.686744908790E+03 -0.58402E-02 -0.23518E-01114235 0.118E+00 0.655E-01
RMM: 4 -0.686747119901E+03 -0.22111E-02 -0.55818E-02116077 0.527E-01 0.205E-01
RMM: 5 -0.686748108526E+03 -0.98862E-03 -0.11251E-02124089 0.220E-01 0.110E-01
RMM: 6 -0.686748244728E+03 -0.13620E-03 -0.17004E-03119942 0.916E-02 0.286E-02
RMM: 7 -0.686748278591E+03 -0.33864E-04 -0.41780E-04127093 0.415E-02 0.194E-02
RMM: 8 -0.686748283561E+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 -0.687142560776E+03 -0.39428E+00 -0.77852E+01113880 0.210E+01 0.207E+00
RMM: 2 -0.687237653186E+03 -0.95092E-01 -0.13765E+00113880 0.270E+00 0.118E+00
RMM: 3 -0.687241253166E+03 -0.36000E-02 -0.16752E-01113880 0.100E+00 0.583E-01
RMM: 4 -0.687242949297E+03 -0.16961E-02 -0.41188E-02115662 0.452E-01 0.187E-01
RMM: 5 -0.687243762174E+03 -0.81288E-03 -0.88585E-03124467 0.191E-01 0.975E-02
RMM: 6 -0.687243871339E+03 -0.10916E-03 -0.13097E-03121341 0.802E-02 0.266E-02
RMM: 7 -0.687243897562E+03 -0.26223E-04 -0.29116E-04128535 0.337E-02 0.130E-02
RMM: 8 -0.687243899967E+03 -0.24048E-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 -0.687254240693E+03 -0.10343E-01 -0.20661E+02113880 0.342E+01 0.348E+00
RMM: 2 -0.687519591998E+03 -0.26535E+00 -0.37828E+00113880 0.448E+00 0.193E+00
RMM: 3 -0.687531133035E+03 -0.11541E-01 -0.46164E-01113882 0.166E+00 0.102E+00
RMM: 4 -0.687534814027E+03 -0.36810E-02 -0.11252E-01115655 0.751E-01 0.354E-01
RMM: 5 -0.687537086032E+03 -0.22720E-02 -0.24169E-02124329 0.318E-01 0.170E-01
RMM: 6 -0.687537392379E+03 -0.30635E-03 -0.35640E-03121346 0.133E-01 0.456E-02
RMM: 7 -0.687537464190E+03 -0.71811E-04 -0.79373E-04131640 0.564E-02 0.216E-02
RMM: 8 -0.687537471852E+03 -0.76617E-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 -0.687868803166E+03 -0.33134E+00 -0.95994E+01113886 0.233E+01 0.235E+00
RMM: 2 -0.687986479466E+03 -0.11768E+00 -0.17190E+00113880 0.303E+00 0.129E+00
RMM: 3 -0.687992482782E+03 -0.60033E-02 -0.21283E-01113964 0.113E+00 0.648E-01
RMM: 4 -0.687994797838E+03 -0.23151E-02 -0.52252E-02116665 0.504E-01 0.218E-01
RMM: 5 -0.687995703839E+03 -0.90600E-03 -0.10111E-02122937 0.208E-01 0.109E-01
RMM: 6 -0.687995841786E+03 -0.13795E-03 -0.16183E-03120906 0.885E-02 0.251E-02
RMM: 7 -0.687995872987E+03 -0.31201E-04 -0.38195E-04126818 0.391E-02 0.163E-02
RMM: 8 -0.687995877254E+03 -0.42679E-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 -0.688006050015E+03 -0.10177E-01 -0.13882E+02113880 0.280E+01 0.285E+00
RMM: 2 -0.688180794636E+03 -0.17474E+00 -0.25269E+00113880 0.367E+00 0.154E+00
RMM: 3 -0.688190837762E+03 -0.10043E-01 -0.31235E-01113934 0.137E+00 0.801E-01
RMM: 4 -0.688194044688E+03 -0.32069E-02 -0.76257E-02116580 0.610E-01 0.275E-01
RMM: 5 -0.688195400638E+03 -0.13559E-02 -0.14935E-02123021 0.253E-01 0.135E-01
RMM: 6 -0.688195601196E+03 -0.20056E-03 -0.23599E-03120750 0.107E-01 0.314E-02
RMM: 7 -0.688195647558E+03 -0.46362E-04 -0.55124E-04129465 0.472E-02 0.192E-02
RMM: 8 -0.688195653742E+03 -0.61841E-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 -0.688545623857E+03 -0.34998E+00 -0.63960E+01114378 0.190E+01 0.191E+00
RMM: 2 -0.688624549803E+03 -0.78926E-01 -0.11549E+00113880 0.247E+00 0.107E+00
RMM: 3 -0.688626757935E+03 -0.22081E-02 -0.14377E-01113966 0.923E-01 0.504E-01
RMM: 4 -0.688628241940E+03 -0.14840E-02 -0.35455E-02116494 0.414E-01 0.171E-01
RMM: 5 -0.688628792859E+03 -0.55092E-03 -0.65793E-03121741 0.168E-01 0.839E-02
RMM: 6 -0.688628885952E+03 -0.93093E-04 -0.11418E-03120595 0.737E-02 0.222E-02
RMM: 7 -0.688628907865E+03 -0.21912E-04 -0.25827E-04127151 0.323E-02 0.133E-02
RMM: 8 -0.688628910637E+03 -0.27725E-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 -0.688687607008E+03 -0.58699E-01 -0.43331E+01115386 0.157E+01 0.156E+00
RMM: 2 -0.688741256387E+03 -0.53649E-01 -0.78860E-01113880 0.205E+00 0.886E-01
RMM: 3 -0.688742396674E+03 -0.11403E-02 -0.98350E-02113945 0.764E-01 0.411E-01
RMM: 4 -0.688743420537E+03 -0.10239E-02 -0.24438E-02116495 0.343E-01 0.137E-01
RMM: 5 -0.688743791246E+03 -0.37071E-03 -0.45524E-03121614 0.140E-01 0.687E-02
RMM: 6 -0.688743853929E+03 -0.62683E-04 -0.79212E-04120284 0.613E-02 0.183E-02
RMM: 7 -0.688743869162E+03 -0.15233E-04 -0.18233E-04124320 0.272E-02 0.113E-02
RMM: 8 -0.688743871054E+03 -0.18922E-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 -0.689072599010E+03 -0.32873E+00 -0.45727E+01113892 0.161E+01 0.160E+00
RMM: 2 -0.689120809605E+03 -0.48211E-01 -0.74941E-01113880 0.201E+00 0.924E-01
RMM: 3 -0.689121957568E+03 -0.11480E-02 -0.95758E-02113880 0.756E-01 0.422E-01
RMM: 4 -0.689123171597E+03 -0.12140E-02 -0.23142E-02115690 0.339E-01 0.139E-01
RMM: 5 -0.689123562430E+03 -0.39083E-03 -0.47965E-03122835 0.142E-01 0.709E-02
RMM: 6 -0.689123624380E+03 -0.61951E-04 -0.76664E-04119909 0.607E-02 0.206E-02
RMM: 7 -0.689123638483E+03 -0.14102E-04 -0.17305E-04123706 0.266E-02 0.113E-02
RMM: 8 -0.689123640265E+03 -0.17825E-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 -0.689212493271E+03 -0.88855E-01 -0.12843E+02113880 0.270E+01 0.273E+00
RMM: 2 -0.689352219117E+03 -0.13973E+00 -0.21444E+00113880 0.341E+00 0.155E+00
RMM: 3 -0.689355726061E+03 -0.35069E-02 -0.27249E-01113881 0.128E+00 0.737E-01
RMM: 4 -0.689358820287E+03 -0.30942E-02 -0.65640E-02115696 0.573E-01 0.251E-01
RMM: 5 -0.689359956305E+03 -0.11360E-02 -0.13487E-02122747 0.239E-01 0.122E-01
RMM: 6 -0.689360138882E+03 -0.18258E-03 -0.21634E-03120232 0.102E-01 0.354E-02
RMM: 7 -0.689360177848E+03 -0.38965E-04 -0.48273E-04129486 0.446E-02 0.184E-02
RMM: 8 -0.689360183549E+03 -0.57015E-05 -0.67626E-05 92706 0.165E-02
49 F= -.68936018E+03 E0= -.68936910E+03 d E =-.616312E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.689619538218E+03 -0.25936E+00 -0.33115E+01115308 0.137E+01 0.139E+00
RMM: 2 -0.689655977654E+03 -0.36439E-01 -0.56241E-01113880 0.174E+00 0.803E-01
RMM: 3 -0.689656368715E+03 -0.39106E-03 -0.72769E-02113895 0.657E-01 0.361E-01
RMM: 4 -0.689657263417E+03 -0.89470E-03 -0.17748E-02116855 0.294E-01 0.123E-01
RMM: 5 -0.689657520342E+03 -0.25692E-03 -0.32746E-03121807 0.120E-01 0.604E-02
RMM: 6 -0.689657569682E+03 -0.49340E-04 -0.57143E-04120017 0.520E-02 0.165E-02
RMM: 7 -0.689657579209E+03 -0.95273E-05 -0.13303E-04118178 0.234E-02 0.106E-02
RMM: 8 -0.689657580921E+03 -0.17122E-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 -0.689731897553E+03 -0.74318E-01 -0.91260E+01113880 0.228E+01 0.233E+00
RMM: 2 -0.689835482327E+03 -0.10358E+00 -0.15704E+00113880 0.290E+00 0.132E+00
RMM: 3 -0.689837696425E+03 -0.22141E-02 -0.20089E-01113891 0.109E+00 0.628E-01
RMM: 4 -0.689839874304E+03 -0.21779E-02 -0.48635E-02116494 0.490E-01 0.215E-01
RMM: 5 -0.689840639553E+03 -0.76525E-03 -0.92175E-03122188 0.201E-01 0.103E-01
RMM: 6 -0.689840773516E+03 -0.13396E-03 -0.15429E-03120097 0.863E-02 0.267E-02
RMM: 7 -0.689840799208E+03 -0.25692E-04 -0.36049E-04125970 0.389E-02 0.176E-02
RMM: 8 -0.689840804005E+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 -0.690097608926E+03 -0.25681E+00 -0.26264E+01114888 0.123E+01 0.125E+00
RMM: 2 -0.690124941604E+03 -0.27333E-01 -0.44199E-01113880 0.156E+00 0.730E-01
RMM: 3 -0.690124636018E+03 0.30559E-03 -0.59351E-02113880 0.599E-01 0.317E-01
RMM: 4 -0.690125335634E+03 -0.69962E-03 -0.14020E-02116480 0.267E-01 0.116E-01
RMM: 5 -0.690125543886E+03 -0.20825E-03 -0.26942E-03121549 0.109E-01 0.542E-02
RMM: 6 -0.690125583988E+03 -0.40103E-04 -0.48290E-04119707 0.480E-02 0.153E-02
RMM: 7 -0.690125592828E+03 -0.88394E-05 -0.10728E-04110796 0.211E-02 0.815E-03
RMM: 8 -0.690125594119E+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 -0.690207629595E+03 -0.82037E-01 -0.42913E+01113880 0.157E+01 0.160E+00
RMM: 2 -0.690252848002E+03 -0.45218E-01 -0.72574E-01113880 0.200E+00 0.937E-01
RMM: 3 -0.690252226168E+03 0.62183E-03 -0.96847E-02113880 0.766E-01 0.411E-01
RMM: 4 -0.690253320658E+03 -0.10945E-02 -0.22942E-02116387 0.342E-01 0.152E-01
RMM: 5 -0.690253658625E+03 -0.33797E-03 -0.44053E-03121450 0.140E-01 0.710E-02
RMM: 6 -0.690253724023E+03 -0.65398E-04 -0.79074E-04120457 0.616E-02 0.198E-02
RMM: 7 -0.690253738542E+03 -0.14519E-04 -0.17748E-04123077 0.270E-02 0.108E-02
RMM: 8 -0.690253740759E+03 -0.22168E-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 -0.690467797728E+03 -0.21406E+00 -0.22825E+01114336 0.115E+01 0.115E+00
RMM: 2 -0.690492273908E+03 -0.24476E-01 -0.38685E-01113880 0.146E+00 0.689E-01
RMM: 3 -0.690492186739E+03 0.87170E-04 -0.52026E-02113880 0.557E-01 0.301E-01
RMM: 4 -0.690492816567E+03 -0.62983E-03 -0.12650E-02117582 0.250E-01 0.106E-01
RMM: 5 -0.690492987245E+03 -0.17068E-03 -0.22505E-03120692 0.101E-01 0.500E-02
RMM: 6 -0.690493022945E+03 -0.35699E-04 -0.43056E-04120445 0.452E-02 0.143E-02
RMM: 7 -0.690493030895E+03 -0.79504E-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 -0.690563866799E+03 -0.70844E-01 -0.40083E+01113880 0.152E+01 0.153E+00
RMM: 2 -0.690606649944E+03 -0.42783E-01 -0.67837E-01113880 0.194E+00 0.914E-01
RMM: 3 -0.690606472274E+03 0.17767E-03 -0.91566E-02113880 0.739E-01 0.397E-01
RMM: 4 -0.690607602652E+03 -0.11304E-02 -0.22166E-02117630 0.332E-01 0.141E-01
RMM: 5 -0.690607903240E+03 -0.30059E-03 -0.39226E-03120567 0.134E-01 0.661E-02
RMM: 6 -0.690607967395E+03 -0.64155E-04 -0.75821E-04121456 0.600E-02 0.188E-02
RMM: 7 -0.690607981836E+03 -0.14441E-04 -0.16509E-04119722 0.258E-02 0.921E-03
RMM: 8 -0.690607983688E+03 -0.18517E-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 -0.690811533680E+03 -0.20355E+00 -0.22958E+01114192 0.115E+01 0.114E+00
RMM: 2 -0.690836417130E+03 -0.24883E-01 -0.38572E-01113880 0.145E+00 0.688E-01
RMM: 3 -0.690836079579E+03 0.33755E-03 -0.52002E-02113887 0.555E-01 0.290E-01
RMM: 4 -0.690836765967E+03 -0.68639E-03 -0.12404E-02118023 0.245E-01 0.105E-01
RMM: 5 -0.690836918913E+03 -0.15295E-03 -0.20638E-03120026 0.996E-02 0.486E-02
RMM: 6 -0.690836956038E+03 -0.37124E-04 -0.41493E-04121385 0.442E-02 0.147E-02
RMM: 7 -0.690836962547E+03 -0.65091E-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 -0.690901280022E+03 -0.64324E-01 -0.41652E+01113880 0.155E+01 0.153E+00
RMM: 2 -0.690946926172E+03 -0.45646E-01 -0.70094E-01113880 0.195E+00 0.915E-01
RMM: 3 -0.690946821050E+03 0.10512E-03 -0.93882E-02113903 0.746E-01 0.402E-01
RMM: 4 -0.690947994891E+03 -0.11738E-02 -0.22383E-02117742 0.330E-01 0.144E-01
RMM: 5 -0.690948291346E+03 -0.29645E-03 -0.37923E-03120445 0.134E-01 0.683E-02
RMM: 6 -0.690948357233E+03 -0.65887E-04 -0.73712E-04121337 0.594E-02 0.186E-02
RMM: 7 -0.690948369092E+03 -0.11859E-04 -0.15809E-04119838 0.264E-02 0.113E-02
RMM: 8 -0.690948371616E+03 -0.25243E-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 -0.691154538036E+03 -0.20617E+00 -0.27651E+01114042 0.126E+01 0.124E+00
RMM: 2 -0.691181495990E+03 -0.26958E-01 -0.44505E-01113880 0.157E+00 0.738E-01
RMM: 3 -0.691181213758E+03 0.28223E-03 -0.63191E-02113891 0.609E-01 0.304E-01
RMM: 4 -0.691182120531E+03 -0.90677E-03 -0.15364E-02118911 0.270E-01 0.112E-01
RMM: 5 -0.691182294584E+03 -0.17405E-03 -0.24004E-03118987 0.108E-01 0.517E-02
RMM: 6 -0.691182340796E+03 -0.46213E-04 -0.53905E-04122938 0.493E-02 0.177E-02
RMM: 7 -0.691182349320E+03 -0.85235E-05 -0.10160E-04107234 0.204E-02 0.754E-03
RMM: 8 -0.691182350588E+03 -0.12678E-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 -0.691226236318E+03 -0.43887E-01 -0.22571E+01114660 0.114E+01 0.111E+00
RMM: 2 -0.691248264441E+03 -0.22028E-01 -0.36401E-01113880 0.142E+00 0.668E-01
RMM: 3 -0.691247992108E+03 0.27233E-03 -0.51808E-02113893 0.552E-01 0.274E-01
RMM: 4 -0.691248743852E+03 -0.75174E-03 -0.12637E-02118978 0.245E-01 0.100E-01
RMM: 5 -0.691248883960E+03 -0.14011E-03 -0.19704E-03118931 0.983E-02 0.461E-02
RMM: 6 -0.691248921858E+03 -0.37899E-04 -0.44502E-04123308 0.447E-02 0.163E-02
RMM: 7 -0.691248928620E+03 -0.67619E-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 -0.691418118264E+03 -0.16920E+00 -0.26045E+01113892 0.122E+01 0.121E+00
RMM: 2 -0.691444737296E+03 -0.26619E-01 -0.42985E-01113880 0.153E+00 0.737E-01
RMM: 3 -0.691444162739E+03 0.57456E-03 -0.58069E-02113880 0.581E-01 0.317E-01
RMM: 4 -0.691444852959E+03 -0.69022E-03 -0.14280E-02117597 0.261E-01 0.115E-01
RMM: 5 -0.691445048481E+03 -0.19552E-03 -0.25698E-03120843 0.106E-01 0.551E-02
RMM: 6 -0.691445086553E+03 -0.38072E-04 -0.47620E-04120422 0.472E-02 0.152E-02
RMM: 7 -0.691445095211E+03 -0.86579E-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 -0.691475424573E+03 -0.30338E-01 -0.15419E+01114912 0.941E+00 0.929E-01
RMM: 2 -0.691490959552E+03 -0.15535E-01 -0.25253E-01113880 0.117E+00 0.566E-01
RMM: 3 -0.691490619143E+03 0.34041E-03 -0.34381E-02113880 0.447E-01 0.238E-01
RMM: 4 -0.691491063337E+03 -0.44419E-03 -0.84800E-03117959 0.201E-01 0.862E-02
RMM: 5 -0.691491175224E+03 -0.11189E-03 -0.14876E-03120601 0.811E-02 0.414E-02
RMM: 6 -0.691491198233E+03 -0.23010E-04 -0.28333E-04120503 0.362E-02 0.119E-02
RMM: 7 -0.691491203103E+03 -0.48697E-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 -0.691632808922E+03 -0.14161E+00 -0.36687E+01113880 0.145E+01 0.145E+00
RMM: 2 -0.691678724179E+03 -0.45915E-01 -0.68100E-01113880 0.189E+00 0.884E-01
RMM: 3 -0.691678492823E+03 0.23136E-03 -0.86154E-02113890 0.708E-01 0.435E-01
RMM: 4 -0.691679055502E+03 -0.56268E-03 -0.21028E-02116860 0.320E-01 0.154E-01
RMM: 5 -0.691679371551E+03 -0.31605E-03 -0.39218E-03121869 0.130E-01 0.699E-02
RMM: 6 -0.691679427665E+03 -0.56114E-04 -0.68028E-04120269 0.567E-02 0.170E-02
RMM: 7 -0.691679440009E+03 -0.12344E-04 -0.15140E-04118580 0.248E-02 0.993E-03
RMM: 8 -0.691679441894E+03 -0.18851E-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 -0.691686432764E+03 -0.69928E-02 -0.40481E+00120138 0.483E+00 0.477E-01
RMM: 2 -0.691691347783E+03 -0.49150E-02 -0.73259E-02113880 0.622E-01 0.289E-01
RMM: 3 -0.691691349993E+03 -0.22105E-05 -0.93784E-03113889 0.233E-01 0.138E-01
RMM: 4 -0.691691429303E+03 -0.79309E-04 -0.23101E-03117211 0.105E-01 0.473E-02
RMM: 5 -0.691691463369E+03 -0.34066E-04 -0.42124E-04121671 0.424E-02 0.226E-02
RMM: 6 -0.691691469435E+03 -0.60660E-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 -0.691858363554E+03 -0.16690E+00 -0.41566E+01113880 0.154E+01 0.151E+00
RMM: 2 -0.691903864356E+03 -0.45501E-01 -0.69010E-01113880 0.192E+00 0.886E-01
RMM: 3 -0.691904201475E+03 -0.33712E-03 -0.89449E-02113899 0.724E-01 0.381E-01
RMM: 4 -0.691905361452E+03 -0.11600E-02 -0.21472E-02117003 0.322E-01 0.124E-01
RMM: 5 -0.691905667656E+03 -0.30620E-03 -0.39186E-03121106 0.131E-01 0.595E-02
RMM: 6 -0.691905729076E+03 -0.61420E-04 -0.71857E-04121383 0.572E-02 0.200E-02
RMM: 7 -0.691905740258E+03 -0.11182E-04 -0.13760E-04115526 0.244E-02 0.945E-03
RMM: 8 -0.691905742603E+03 -0.23448E-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 -0.691927441941E+03 -0.21702E-01 -0.18115E+01114048 0.102E+01 0.997E-01
RMM: 2 -0.691947051581E+03 -0.19610E-01 -0.30000E-01113880 0.127E+00 0.587E-01
RMM: 3 -0.691947112790E+03 -0.61209E-04 -0.39064E-02113896 0.479E-01 0.248E-01
RMM: 4 -0.691947638519E+03 -0.52573E-03 -0.94042E-03117222 0.213E-01 0.815E-02
RMM: 5 -0.691947765366E+03 -0.12685E-03 -0.16785E-03120836 0.868E-02 0.387E-02
RMM: 6 -0.691947792213E+03 -0.26847E-04 -0.31653E-04121245 0.379E-02 0.132E-02
RMM: 7 -0.691947796826E+03 -0.46132E-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 -0.692099011822E+03 -0.15122E+00 -0.38188E+01113880 0.148E+01 0.143E+00
RMM: 2 -0.692143188270E+03 -0.44176E-01 -0.64736E-01113880 0.185E+00 0.874E-01
RMM: 3 -0.692143065651E+03 0.12262E-03 -0.82071E-02113884 0.688E-01 0.392E-01
RMM: 4 -0.692143947714E+03 -0.88206E-03 -0.20179E-02116904 0.310E-01 0.131E-01
RMM: 5 -0.692144251567E+03 -0.30385E-03 -0.38177E-03121719 0.127E-01 0.668E-02
RMM: 6 -0.692144304971E+03 -0.53405E-04 -0.66316E-04120448 0.554E-02 0.194E-02
RMM: 7 -0.692144316523E+03 -0.11552E-04 -0.13555E-04114500 0.237E-02 0.104E-02
RMM: 8 -0.692144318344E+03 -0.18210E-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 -0.692161648828E+03 -0.17332E-01 -0.15294E+01115050 0.936E+00 0.905E-01
RMM: 2 -0.692178907050E+03 -0.17258E-01 -0.25575E-01113880 0.116E+00 0.552E-01
RMM: 3 -0.692178855373E+03 0.51677E-04 -0.32708E-02113881 0.434E-01 0.236E-01
RMM: 4 -0.692179266058E+03 -0.41069E-03 -0.80576E-03117284 0.195E-01 0.782E-02
RMM: 5 -0.692179382576E+03 -0.11652E-03 -0.14862E-03121550 0.794E-02 0.407E-02
RMM: 6 -0.692179404090E+03 -0.21514E-04 -0.26518E-04119883 0.348E-02 0.123E-02
RMM: 7 -0.692179408422E+03 -0.43325E-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 -0.692299999588E+03 -0.12060E+00 -0.40822E+01113880 0.153E+01 0.151E+00
RMM: 2 -0.692346254352E+03 -0.46255E-01 -0.70131E-01113880 0.193E+00 0.918E-01
RMM: 3 -0.692345934278E+03 0.32007E-03 -0.92070E-02113880 0.728E-01 0.422E-01
RMM: 4 -0.692347021473E+03 -0.10872E-02 -0.22048E-02117452 0.326E-01 0.165E-01
RMM: 5 -0.692347327899E+03 -0.30643E-03 -0.39592E-03120691 0.133E-01 0.744E-02
RMM: 6 -0.692347396917E+03 -0.69017E-04 -0.79837E-04121601 0.601E-02 0.204E-02
RMM: 7 -0.692347408777E+03 -0.11860E-04 -0.15657E-04119541 0.252E-02 0.117E-02
RMM: 8 -0.692347410879E+03 -0.21028E-05 -0.24534E-05 78601 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 -0.692352559105E+03 -0.51503E-02 -0.37958E+00120462 0.466E+00 0.452E-01
RMM: 2 -0.692356785814E+03 -0.42267E-02 -0.64242E-02113880 0.583E-01 0.277E-01
RMM: 3 -0.692356773339E+03 0.12475E-04 -0.84937E-03113880 0.221E-01 0.122E-01
RMM: 4 -0.692356886983E+03 -0.11364E-03 -0.20483E-03117667 0.987E-02 0.463E-02
RMM: 5 -0.692356914923E+03 -0.27940E-04 -0.36743E-04120519 0.402E-02 0.220E-02
RMM: 6 -0.692356921114E+03 -0.61909E-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 -0.692469870655E+03 -0.11296E+00 -0.33639E+01113880 0.139E+01 0.136E+00
RMM: 2 -0.692507012851E+03 -0.37142E-01 -0.57116E-01113880 0.175E+00 0.813E-01
RMM: 3 -0.692506876524E+03 0.13633E-03 -0.74447E-02113882 0.660E-01 0.354E-01
RMM: 4 -0.692507776329E+03 -0.89980E-03 -0.17969E-02117459 0.296E-01 0.125E-01
RMM: 5 -0.692508019263E+03 -0.24293E-03 -0.31399E-03120277 0.118E-01 0.598E-02
RMM: 6 -0.692508071084E+03 -0.51821E-04 -0.61871E-04120184 0.534E-02 0.170E-02
RMM: 7 -0.692508081882E+03 -0.10798E-04 -0.12572E-04114568 0.224E-02 0.841E-03
RMM: 8 -0.692508083493E+03 -0.16109E-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 -0.692516417217E+03 -0.83353E-02 -0.59664E+00115584 0.584E+00 0.566E-01
RMM: 2 -0.692522980744E+03 -0.65635E-02 -0.10126E-01113880 0.736E-01 0.343E-01
RMM: 3 -0.692522940896E+03 0.39848E-04 -0.13242E-02113881 0.278E-01 0.147E-01
RMM: 4 -0.692523108098E+03 -0.16720E-03 -0.31967E-03117612 0.125E-01 0.513E-02
RMM: 5 -0.692523149343E+03 -0.41245E-04 -0.55401E-04120150 0.498E-02 0.247E-02
RMM: 6 -0.692523158323E+03 -0.89799E-05 -0.10994E-04111376 0.225E-02 0.709E-03
RMM: 7 -0.692523160062E+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 -0.692621318602E+03 -0.98160E-01 -0.39035E+01113880 0.149E+01 0.141E+00
RMM: 2 -0.692668905389E+03 -0.47587E-01 -0.67225E-01113880 0.187E+00 0.857E-01
RMM: 3 -0.692669125881E+03 -0.22049E-03 -0.81028E-02113895 0.689E-01 0.392E-01
RMM: 4 -0.692669859647E+03 -0.73377E-03 -0.19234E-02116334 0.310E-01 0.122E-01
RMM: 5 -0.692670170461E+03 -0.31081E-03 -0.36959E-03121701 0.126E-01 0.663E-02
RMM: 6 -0.692670222077E+03 -0.51616E-04 -0.61556E-04118865 0.544E-02 0.175E-02
RMM: 7 -0.692670233859E+03 -0.11782E-04 -0.13660E-04117471 0.241E-02 0.958E-03
RMM: 8 -0.692670235887E+03 -0.20281E-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 -0.692675360411E+03 -0.51266E-02 -0.54488E+00117612 0.557E+00 0.522E-01
RMM: 2 -0.692681888082E+03 -0.65277E-02 -0.92950E-02113880 0.697E-01 0.319E-01
RMM: 3 -0.692681914717E+03 -0.26635E-04 -0.11230E-02113898 0.257E-01 0.143E-01
RMM: 4 -0.692682028956E+03 -0.11424E-03 -0.26705E-03116527 0.115E-01 0.442E-02
RMM: 5 -0.692682070754E+03 -0.41799E-04 -0.50717E-04121596 0.466E-02 0.241E-02
RMM: 6 -0.692682077686E+03 -0.69314E-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 -0.692759581855E+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 -0.692814401960E+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 -0.22648E-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 -0.692816787572E+03 -0.23139E-02 -0.30415E+00119922 0.414E+00 0.383E-01
RMM: 2 -0.692820433365E+03 -0.36458E-02 -0.51933E-02113880 0.517E-01 0.236E-01
RMM: 3 -0.692820481467E+03 -0.48101E-04 -0.63252E-03113880 0.191E-01 0.109E-01
RMM: 4 -0.692820546137E+03 -0.64670E-04 -0.14308E-03115939 0.850E-02 0.357E-02
RMM: 5 -0.692820571640E+03 -0.25503E-04 -0.29061E-04122169 0.349E-02 0.181E-02
RMM: 6 -0.692820575833E+03 -0.41929E-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 -0.692897322717E+03 -0.76751E-01 -0.48091E+01113880 0.164E+01 0.153E+00
RMM: 2 -0.692956901280E+03 -0.59579E-01 -0.83366E-01113880 0.207E+00 0.916E-01
RMM: 3 -0.692957798740E+03 -0.89746E-03 -0.99510E-02113880 0.762E-01 0.421E-01
RMM: 4 -0.692958713126E+03 -0.91439E-03 -0.22850E-02115661 0.341E-01 0.129E-01
RMM: 5 -0.692959114064E+03 -0.40094E-03 -0.46475E-03122048 0.139E-01 0.681E-02
RMM: 6 -0.692959175033E+03 -0.60969E-04 -0.73625E-04118015 0.599E-02 0.188E-02
RMM: 7 -0.692959188694E+03 -0.13662E-04 -0.16316E-04119364 0.266E-02 0.111E-02
RMM: 8 -0.692959191441E+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 -0.692962129002E+03 -0.29403E-02 -0.58200E+00114918 0.572E+00 0.527E-01
RMM: 2 -0.692969174831E+03 -0.70458E-02 -0.99595E-02113880 0.716E-01 0.319E-01
RMM: 3 -0.692969240469E+03 -0.65637E-04 -0.11881E-02113880 0.263E-01 0.142E-01
RMM: 4 -0.692969364197E+03 -0.12373E-03 -0.27375E-03115868 0.118E-01 0.433E-02
RMM: 5 -0.692969410080E+03 -0.45883E-04 -0.54834E-04121895 0.478E-02 0.232E-02
RMM: 6 -0.692969417278E+03 -0.71970E-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 -0.693025128460E+03 -0.55718E-01 -0.57493E+01113880 0.180E+01 0.163E+00
RMM: 2 -0.693099401940E+03 -0.74273E-01 -0.10009E+00113880 0.226E+00 0.984E-01
RMM: 3 -0.693101126252E+03 -0.17243E-02 -0.11537E-01113902 0.820E-01 0.473E-01
RMM: 4 -0.693102052046E+03 -0.92579E-03 -0.26263E-02115458 0.367E-01 0.139E-01
RMM: 5 -0.693102529524E+03 -0.47748E-03 -0.53436E-03122437 0.149E-01 0.772E-02
RMM: 6 -0.693102598701E+03 -0.69177E-04 -0.81698E-04118255 0.637E-02 0.197E-02
RMM: 7 -0.693102613643E+03 -0.14942E-04 -0.17915E-04120811 0.280E-02 0.114E-02
RMM: 8 -0.693102616698E+03 -0.30545E-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 -0.693103687972E+03 -0.10743E-02 -0.45865E+00118374 0.509E+00 0.456E-01
RMM: 2 -0.693109430599E+03 -0.57426E-02 -0.78202E-02113880 0.633E-01 0.278E-01
RMM: 3 -0.693109528759E+03 -0.98160E-04 -0.89587E-03113899 0.229E-01 0.128E-01
RMM: 4 -0.693109614208E+03 -0.85449E-04 -0.20581E-03115745 0.102E-01 0.379E-02
RMM: 5 -0.693109649688E+03 -0.35480E-04 -0.40997E-04122215 0.414E-02 0.213E-02
RMM: 6 -0.693109654963E+03 -0.52751E-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 -0.693167222473E+03 -0.57573E-01 -0.49943E+01113880 0.168E+01 0.152E+00
RMM: 2 -0.693232325904E+03 -0.65103E-01 -0.88362E-01113880 0.211E+00 0.913E-01
RMM: 3 -0.693234742959E+03 -0.24171E-02 -0.10188E-01113895 0.766E-01 0.476E-01
RMM: 4 -0.693235422252E+03 -0.67929E-03 -0.22751E-02115252 0.343E-01 0.147E-01
RMM: 5 -0.693235871138E+03 -0.44889E-03 -0.47799E-03122858 0.140E-01 0.746E-02
RMM: 6 -0.693235933526E+03 -0.62389E-04 -0.72522E-04117491 0.599E-02 0.196E-02
RMM: 7 -0.693235947638E+03 -0.14112E-04 -0.16210E-04118692 0.264E-02 0.105E-02
RMM: 8 -0.693235949883E+03 -0.22449E-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 -0.693233451496E+03 0.24961E-02 -0.15559E+01113880 0.934E+00 0.839E-01
RMM: 2 -0.693253236643E+03 -0.19785E-01 -0.26998E-01113880 0.117E+00 0.507E-01
RMM: 3 -0.693253925717E+03 -0.68907E-03 -0.30864E-02113892 0.422E-01 0.255E-01
RMM: 4 -0.693254172379E+03 -0.24666E-03 -0.69341E-03115310 0.189E-01 0.775E-02
RMM: 5 -0.693254306449E+03 -0.13407E-03 -0.14477E-03122878 0.767E-02 0.410E-02
RMM: 6 -0.693254325413E+03 -0.18964E-04 -0.21902E-04116608 0.330E-02 0.101E-02
RMM: 7 -0.693254329444E+03 -0.40310E-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 -0.693313385057E+03 -0.59060E-01 -0.53816E+01113880 0.174E+01 0.155E+00
RMM: 2 -0.693384315221E+03 -0.70930E-01 -0.94836E-01113880 0.218E+00 0.914E-01
RMM: 3 -0.693387399827E+03 -0.30846E-02 -0.10766E-01113907 0.790E-01 0.458E-01
RMM: 4 -0.693388294174E+03 -0.89435E-03 -0.24112E-02114976 0.354E-01 0.125E-01
RMM: 5 -0.693388755193E+03 -0.46102E-03 -0.50608E-03122944 0.144E-01 0.730E-02
RMM: 6 -0.693388816422E+03 -0.61229E-04 -0.75028E-04116885 0.613E-02 0.203E-02
RMM: 7 -0.693388830926E+03 -0.14504E-04 -0.17427E-04120121 0.274E-02 0.111E-02
RMM: 8 -0.693388833422E+03 -0.24964E-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 -0.693369451246E+03 0.19380E-01 -0.41497E+01113880 0.153E+01 0.136E+00
RMM: 2 -0.693423948784E+03 -0.54498E-01 -0.73024E-01113880 0.192E+00 0.804E-01
RMM: 3 -0.693426238618E+03 -0.22898E-02 -0.82460E-02113911 0.692E-01 0.400E-01
RMM: 4 -0.693426929114E+03 -0.69050E-03 -0.18463E-02114952 0.310E-01 0.108E-01
RMM: 5 -0.693427279652E+03 -0.35054E-03 -0.38754E-03122939 0.126E-01 0.631E-02
RMM: 6 -0.693427326475E+03 -0.46823E-04 -0.57310E-04116603 0.536E-02 0.175E-02
RMM: 7 -0.693427337515E+03 -0.11040E-04 -0.13345E-04116326 0.240E-02 0.976E-03
RMM: 8 -0.693427339396E+03 -0.18815E-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 -0.693454841752E+03 -0.27504E-01 -0.74093E+01113880 0.204E+01 0.180E+00
RMM: 2 -0.693558934990E+03 -0.10409E+00 -0.13432E+00113880 0.257E+00 0.107E+00
RMM: 3 -0.693563601687E+03 -0.46667E-02 -0.14833E-01113887 0.920E-01 0.551E-01
RMM: 4 -0.693564571616E+03 -0.96993E-03 -0.33085E-02114940 0.413E-01 0.151E-01
RMM: 5 -0.693565204894E+03 -0.63328E-03 -0.67617E-03123375 0.165E-01 0.853E-02
RMM: 6 -0.693565286620E+03 -0.81726E-04 -0.94793E-04118361 0.690E-02 0.244E-02
RMM: 7 -0.693565304880E+03 -0.18260E-04 -0.20511E-04122839 0.301E-02 0.113E-02
RMM: 8 -0.693565307992E+03 -0.31126E-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 -0.693556080289E+03 0.92246E-02 -0.20191E+01114030 0.107E+01 0.924E-01
RMM: 2 -0.693583251720E+03 -0.27171E-01 -0.35489E-01113880 0.133E+00 0.557E-01
RMM: 3 -0.693584237348E+03 -0.98563E-03 -0.38294E-02113887 0.473E-01 0.277E-01
RMM: 4 -0.693584529927E+03 -0.29258E-03 -0.86212E-03114722 0.212E-01 0.717E-02
RMM: 5 -0.693584698590E+03 -0.16866E-03 -0.18469E-03123266 0.866E-02 0.432E-02
RMM: 6 -0.693584720740E+03 -0.22149E-04 -0.26375E-04117411 0.365E-02 0.115E-02
RMM: 7 -0.693584725577E+03 -0.48370E-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 -0.693625805705E+03 -0.41085E-01 -0.62397E+01113880 0.187E+01 0.164E+00
RMM: 2 -0.693712746058E+03 -0.86940E-01 -0.11274E+00113880 0.236E+00 0.966E-01
RMM: 3 -0.693717365055E+03 -0.46190E-02 -0.12562E-01113894 0.846E-01 0.503E-01
RMM: 4 -0.693718311236E+03 -0.94618E-03 -0.27234E-02114952 0.376E-01 0.138E-01
RMM: 5 -0.693718858641E+03 -0.54740E-03 -0.56440E-03123863 0.151E-01 0.750E-02
RMM: 6 -0.693718931026E+03 -0.72385E-04 -0.79586E-04118852 0.629E-02 0.211E-02
RMM: 7 -0.693718946397E+03 -0.15371E-04 -0.17208E-04118871 0.271E-02 0.106E-02
RMM: 8 -0.693718948539E+03 -0.21423E-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 -0.693667661421E+03 0.51285E-01 -0.66044E+01113880 0.193E+01 0.169E+00
RMM: 2 -0.693760855066E+03 -0.93194E-01 -0.12053E+00113880 0.242E+00 0.992E-01
RMM: 3 -0.693766117270E+03 -0.52622E-02 -0.13465E-01113894 0.871E-01 0.519E-01
RMM: 4 -0.693767121360E+03 -0.10041E-02 -0.29013E-02114944 0.387E-01 0.142E-01
RMM: 5 -0.693767706290E+03 -0.58493E-03 -0.60200E-03123998 0.155E-01 0.778E-02
RMM: 6 -0.693767782564E+03 -0.76275E-04 -0.84498E-04118931 0.646E-02 0.224E-02
RMM: 7 -0.693767798865E+03 -0.16301E-04 -0.18170E-04119863 0.278E-02 0.109E-02
RMM: 8 -0.693767801150E+03 -0.22846E-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 -0.693781418318E+03 -0.13619E-01 -0.88916E+01113880 0.223E+01 0.194E+00
RMM: 2 -0.693912485888E+03 -0.13107E+00 -0.16594E+00113880 0.282E+00 0.114E+00
RMM: 3 -0.693920741939E+03 -0.82561E-02 -0.18831E-01114191 0.101E+00 0.606E-01
RMM: 4 -0.693921759695E+03 -0.10178E-02 -0.37383E-02114857 0.441E-01 0.156E-01
RMM: 5 -0.693922530459E+03 -0.77076E-03 -0.80022E-03123420 0.179E-01 0.879E-02
RMM: 6 -0.693922632632E+03 -0.10217E-03 -0.11629E-03120021 0.750E-02 0.304E-02
RMM: 7 -0.693922653753E+03 -0.21121E-04 -0.23227E-04122463 0.317E-02 0.115E-02
RMM: 8 -0.693922656879E+03 -0.31267E-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 -0.693865238865E+03 0.57415E-01 -0.63113E+01113880 0.188E+01 0.163E+00
RMM: 2 -0.693957247362E+03 -0.92008E-01 -0.11695E+00113880 0.237E+00 0.959E-01
RMM: 3 -0.693962881265E+03 -0.56339E-02 -0.13104E-01114198 0.848E-01 0.504E-01
RMM: 4 -0.693963653012E+03 -0.77175E-03 -0.26253E-02114851 0.370E-01 0.127E-01
RMM: 5 -0.693964190487E+03 -0.53747E-03 -0.56270E-03123442 0.150E-01 0.732E-02
RMM: 6 -0.693964261589E+03 -0.71103E-04 -0.81705E-04119535 0.629E-02 0.244E-02
RMM: 7 -0.693964276580E+03 -0.14990E-04 -0.16486E-04118369 0.267E-02 0.977E-03
RMM: 8 -0.693964278696E+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 -0.693942314288E+03 0.21962E-01 -0.10871E+02113880 0.246E+01 0.213E+00
RMM: 2 -0.694109770283E+03 -0.16746E+00 -0.20781E+00113880 0.314E+00 0.126E+00
RMM: 3 -0.694120418601E+03 -0.10648E-01 -0.23224E-01114140 0.111E+00 0.675E-01
RMM: 4 -0.694121483994E+03 -0.10654E-02 -0.44941E-02114704 0.484E-01 0.170E-01
RMM: 5 -0.694122402676E+03 -0.91868E-03 -0.96153E-03123356 0.197E-01 0.961E-02
RMM: 6 -0.694122524142E+03 -0.12147E-03 -0.13851E-03119691 0.823E-02 0.367E-02
RMM: 7 -0.694122549937E+03 -0.25795E-04 -0.27958E-04122525 0.354E-02 0.116E-02
RMM: 8 -0.694122554199E+03 -0.42621E-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 -0.694048375424E+03 0.74175E-01 -0.74281E+01113880 0.203E+01 0.175E+00
RMM: 2 -0.694159566258E+03 -0.11119E+00 -0.13894E+00113880 0.258E+00 0.104E+00
RMM: 3 -0.694165376398E+03 -0.58101E-02 -0.14687E-01113880 0.910E-01 0.542E-01
RMM: 4 -0.694166345226E+03 -0.96883E-03 -0.31531E-02114675 0.406E-01 0.135E-01
RMM: 5 -0.694166975303E+03 -0.63008E-03 -0.67783E-03123238 0.165E-01 0.804E-02
RMM: 6 -0.694167061634E+03 -0.86331E-04 -0.98438E-04119029 0.695E-02 0.276E-02
RMM: 7 -0.694167080932E+03 -0.19298E-04 -0.20680E-04121480 0.301E-02 0.105E-02
RMM: 8 -0.694167083883E+03 -0.29501E-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 -0.694134335497E+03 0.32745E-01 -0.11588E+02113880 0.253E+01 0.220E+00
RMM: 2 -0.694315560556E+03 -0.18123E+00 -0.22526E+00113880 0.324E+00 0.129E+00
RMM: 3 -0.694327281623E+03 -0.11721E-01 -0.24966E-01114012 0.115E+00 0.717E-01
RMM: 4 -0.694328439131E+03 -0.11575E-02 -0.50180E-02114798 0.509E-01 0.184E-01
RMM: 5 -0.694329438564E+03 -0.99943E-03 -0.10408E-02123332 0.204E-01 0.999E-02
RMM: 6 -0.694329571456E+03 -0.13289E-03 -0.15155E-03120165 0.854E-02 0.407E-02
RMM: 7 -0.694329599622E+03 -0.28167E-04 -0.30021E-04122120 0.365E-02 0.121E-02
RMM: 8 -0.694329604154E+03 -0.45322E-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 -0.694223528927E+03 0.10607E+00 -0.90814E+01113880 0.224E+01 0.195E+00
RMM: 2 -0.694363986429E+03 -0.14046E+00 -0.17520E+00113880 0.286E+00 0.114E+00
RMM: 3 -0.694373311777E+03 -0.93253E-02 -0.19350E-01113885 0.102E+00 0.624E-01
RMM: 4 -0.694374485672E+03 -0.11739E-02 -0.40123E-02114885 0.453E-01 0.161E-01
RMM: 5 -0.694375269787E+03 -0.78412E-03 -0.82156E-03123416 0.180E-01 0.890E-02
RMM: 6 -0.694375372671E+03 -0.10288E-03 -0.11835E-03119791 0.756E-02 0.344E-02
RMM: 7 -0.694375395358E+03 -0.22687E-04 -0.23935E-04121146 0.324E-02 0.109E-02
RMM: 8 -0.694375398750E+03 -0.33921E-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 -0.694300985259E+03 0.74410E-01 -0.14643E+02113880 0.283E+01 0.248E+00
RMM: 2 -0.694544197476E+03 -0.24321E+00 -0.29918E+00113880 0.368E+00 0.144E+00
RMM: 3 -0.694563120528E+03 -0.18923E-01 -0.34528E-01114170 0.132E+00 0.820E-01
RMM: 4 -0.694564256235E+03 -0.11357E-02 -0.65007E-02114856 0.575E-01 0.210E-01
RMM: 5 -0.694565544871E+03 -0.12886E-02 -0.13380E-02123077 0.230E-01 0.109E-01
RMM: 6 -0.694565705500E+03 -0.16063E-03 -0.19394E-03121428 0.957E-02 0.517E-02
RMM: 7 -0.694565736892E+03 -0.31392E-04 -0.34916E-04119505 0.406E-02 0.123E-02
RMM: 8 -0.694565743407E+03 -0.65153E-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 -0.694357431539E+03 0.20831E+00 -0.15184E+02113880 0.289E+01 0.255E+00
RMM: 2 -0.694613163268E+03 -0.25573E+00 -0.31516E+00113880 0.379E+00 0.147E+00
RMM: 3 -0.694633369709E+03 -0.20206E-01 -0.35899E-01114028 0.136E+00 0.842E-01
RMM: 4 -0.694634790851E+03 -0.14211E-02 -0.70933E-02114850 0.601E-01 0.218E-01
RMM: 5 -0.694636217866E+03 -0.14270E-02 -0.14923E-02123175 0.242E-01 0.117E-01
RMM: 6 -0.694636381585E+03 -0.16372E-03 -0.21289E-03121189 0.101E-01 0.565E-02
RMM: 7 -0.694636417859E+03 -0.36273E-04 -0.39750E-04118479 0.434E-02 0.128E-02
RMM: 8 -0.694636425553E+03 -0.76942E-05 -0.94453E-05103135 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 -0.694459234716E+03 0.17718E+00 -0.19588E+02113880 0.327E+01 0.287E+00
RMM: 2 -0.694812558279E+03 -0.35332E+00 -0.42661E+00113880 0.435E+00 0.168E+00
RMM: 3 -0.694837326247E+03 -0.24768E-01 -0.46338E-01113896 0.155E+00 0.985E-01
RMM: 4 -0.694838063955E+03 -0.73771E-03 -0.96262E-02114681 0.701E-01 0.246E-01
RMM: 5 -0.694839931913E+03 -0.18680E-02 -0.20841E-02122405 0.285E-01 0.139E-01
RMM: 6 -0.694840149452E+03 -0.21754E-03 -0.30198E-03121710 0.119E-01 0.744E-02
RMM: 7 -0.694840196319E+03 -0.46867E-04 -0.55755E-04114240 0.531E-02 0.145E-02
RMM: 8 -0.694840210095E+03 -0.13776E-04 -0.16456E-04117943 0.254E-02 0.115E-02
RMM: 9 -0.694840212427E+03 -0.23326E-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 -0.694813540473E+03 0.26670E-01 -0.27418E+01116934 0.122E+01 0.104E+00
RMM: 2 -0.694854804030E+03 -0.41264E-01 -0.51474E-01113880 0.154E+00 0.621E-01
RMM: 3 -0.694856860033E+03 -0.20560E-02 -0.52084E-02113888 0.537E-01 0.332E-01
RMM: 4 -0.694857156020E+03 -0.29599E-03 -0.11562E-02114665 0.241E-01 0.778E-02
RMM: 5 -0.694857384495E+03 -0.22847E-03 -0.25159E-03122990 0.975E-02 0.476E-02
RMM: 6 -0.694857412901E+03 -0.28406E-04 -0.35319E-04118671 0.412E-02 0.170E-02
RMM: 7 -0.694857419638E+03 -0.67368E-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 -0.694738131314E+03 0.11928E+00 -0.16110E+02113880 0.296E+01 0.261E+00
RMM: 2 -0.695018088797E+03 -0.27996E+00 -0.34410E+00113880 0.392E+00 0.152E+00
RMM: 3 -0.695039220411E+03 -0.21132E-01 -0.37701E-01113934 0.140E+00 0.914E-01
RMM: 4 -0.695039952747E+03 -0.73234E-03 -0.76300E-02114791 0.625E-01 0.244E-01
RMM: 5 -0.695041516602E+03 -0.15639E-02 -0.16396E-02122842 0.255E-01 0.127E-01
RMM: 6 -0.695041699179E+03 -0.18258E-03 -0.23978E-03121124 0.107E-01 0.621E-02
RMM: 7 -0.695041740771E+03 -0.41592E-04 -0.45527E-04116841 0.468E-02 0.136E-02
RMM: 8 -0.695041750777E+03 -0.10006E-04 -0.11723E-04108007 0.213E-02 0.949E-03
RMM: 9 -0.695041752549E+03 -0.17724E-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 -0.695024619596E+03 0.17131E-01 -0.18887E+01117408 0.102E+01 0.862E-01
RMM: 2 -0.695052581934E+03 -0.27962E-01 -0.35229E-01113880 0.128E+00 0.513E-01
RMM: 3 -0.695054187295E+03 -0.16054E-02 -0.36332E-02113905 0.447E-01 0.278E-01
RMM: 4 -0.695054418668E+03 -0.23137E-03 -0.78702E-03114900 0.199E-01 0.682E-02
RMM: 5 -0.695054577129E+03 -0.15846E-03 -0.16718E-03123262 0.805E-02 0.404E-02
RMM: 6 -0.695054597761E+03 -0.20632E-04 -0.24072E-04117774 0.343E-02 0.130E-02
RMM: 7 -0.695054602432E+03 -0.46713E-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 -0.695031073865E+03 0.23524E-01 -0.11483E+02113880 0.250E+01 0.218E+00
RMM: 2 -0.695216977587E+03 -0.18590E+00 -0.23078E+00113880 0.323E+00 0.128E+00
RMM: 3 -0.695229540614E+03 -0.12563E-01 -0.25335E-01114049 0.115E+00 0.719E-01
RMM: 4 -0.695230734450E+03 -0.11938E-02 -0.52416E-02114831 0.512E-01 0.190E-01
RMM: 5 -0.695231738247E+03 -0.10038E-02 -0.10557E-02122684 0.204E-01 0.102E-01
RMM: 6 -0.695231864200E+03 -0.12595E-03 -0.15658E-03119375 0.865E-02 0.385E-02
RMM: 7 -0.695231893955E+03 -0.29755E-04 -0.32946E-04125256 0.372E-02 0.139E-02
RMM: 8 -0.695231898229E+03 -0.42734E-05 -0.55336E-05 90673 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 -0.695216177257E+03 0.15717E-01 -0.21721E+01114774 0.109E+01 0.931E-01
RMM: 2 -0.695248172992E+03 -0.31996E-01 -0.40463E-01113880 0.137E+00 0.552E-01
RMM: 3 -0.695249907896E+03 -0.17349E-02 -0.42303E-02113986 0.480E-01 0.290E-01
RMM: 4 -0.695250214645E+03 -0.30675E-03 -0.90657E-03114627 0.213E-01 0.734E-02
RMM: 5 -0.695250391254E+03 -0.17661E-03 -0.19034E-03122718 0.865E-02 0.432E-02
RMM: 6 -0.695250415203E+03 -0.23949E-04 -0.28460E-04117078 0.372E-02 0.129E-02
RMM: 7 -0.695250420378E+03 -0.51751E-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 -0.695215617469E+03 0.34798E-01 -0.11911E+02113880 0.256E+01 0.220E+00
RMM: 2 -0.695404782314E+03 -0.18916E+00 -0.23424E+00113880 0.329E+00 0.132E+00
RMM: 3 -0.695416334301E+03 -0.11552E-01 -0.25385E-01113893 0.117E+00 0.719E-01
RMM: 4 -0.695417617477E+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 -0.695418851288E+03 -0.13262E-03 -0.17077E-03119709 0.904E-02 0.411E-02
RMM: 7 -0.695418884048E+03 -0.32760E-04 -0.36187E-04123870 0.397E-02 0.136E-02
RMM: 8 -0.695418889523E+03 -0.54753E-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 -0.695414922084E+03 0.39620E-02 -0.78363E+00120030 0.658E+00 0.548E-01
RMM: 2 -0.695426011824E+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 -0.695426696462E+03 -0.65293E-04 -0.71868E-04123180 0.522E-02 0.264E-02
RMM: 6 -0.695426704703E+03 -0.82410E-05 -0.10246E-04109993 0.222E-02 0.697E-03
RMM: 7 -0.695426706539E+03 -0.18354E-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 -0.695421497269E+03 0.52074E-02 -0.10159E+02113880 0.237E+01 0.207E+00
RMM: 2 -0.695576150768E+03 -0.15465E+00 -0.19477E+00113880 0.303E+00 0.122E+00
RMM: 3 -0.695586218793E+03 -0.10068E-01 -0.21500E-01114026 0.108E+00 0.665E-01
RMM: 4 -0.695587646585E+03 -0.14278E-02 -0.45422E-02114929 0.479E-01 0.180E-01
RMM: 5 -0.695588595331E+03 -0.94875E-03 -0.96996E-03122970 0.197E-01 0.101E-01
RMM: 6 -0.695588715155E+03 -0.11982E-03 -0.14348E-03118960 0.833E-02 0.304E-02
RMM: 7 -0.695588744163E+03 -0.29007E-04 -0.32396E-04127027 0.366E-02 0.138E-02
RMM: 8 -0.695588747952E+03 -0.37894E-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 -0.695577056524E+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 -0.695604420459E+03 -0.14365E-02 -0.35450E-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 -0.21174E-04 -0.24464E-04116673 0.345E-02 0.103E-02
RMM: 7 -0.695604922835E+03 -0.45490E-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 -0.695630701671E+03 -0.25783E-01 -0.84758E+01113880 0.217E+01 0.190E+00
RMM: 2 -0.695752186533E+03 -0.12148E+00 -0.15469E+00113880 0.274E+00 0.112E+00
RMM: 3 -0.695759035240E+03 -0.68487E-02 -0.16743E-01113937 0.971E-01 0.584E-01
RMM: 4 -0.695760411503E+03 -0.13763E-02 -0.37298E-02114776 0.431E-01 0.156E-01
RMM: 5 -0.695761147732E+03 -0.73623E-03 -0.79585E-03122633 0.178E-01 0.915E-02
RMM: 6 -0.695761240577E+03 -0.92845E-04 -0.11622E-03117868 0.754E-02 0.279E-02
RMM: 7 -0.695761263942E+03 -0.23365E-04 -0.26677E-04125861 0.335E-02 0.133E-02
RMM: 8 -0.695761267524E+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 -0.695748387403E+03 0.12877E-01 -0.23843E+01114258 0.115E+01 0.998E-01
RMM: 2 -0.695781270926E+03 -0.32884E-01 -0.42266E-01113880 0.144E+00 0.597E-01
RMM: 3 -0.695782934337E+03 -0.16634E-02 -0.45083E-02113907 0.508E-01 0.300E-01
RMM: 4 -0.695783365559E+03 -0.43122E-03 -0.10221E-02114859 0.225E-01 0.808E-02
RMM: 5 -0.695783561442E+03 -0.19588E-03 -0.21577E-03122603 0.923E-02 0.482E-02
RMM: 6 -0.695783587123E+03 -0.25682E-04 -0.31721E-04117044 0.395E-02 0.130E-02
RMM: 7 -0.695783593135E+03 -0.60120E-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 -0.695795516430E+03 -0.11929E-01 -0.86488E+01113880 0.220E+01 0.199E+00
RMM: 2 -0.695923098162E+03 -0.12758E+00 -0.16408E+00113880 0.280E+00 0.116E+00
RMM: 3 -0.695930740437E+03 -0.76423E-02 -0.17762E-01114013 0.995E-01 0.621E-01
RMM: 4 -0.695931983443E+03 -0.12430E-02 -0.39608E-02114441 0.445E-01 0.161E-01
RMM: 5 -0.695932772737E+03 -0.78929E-03 -0.86361E-03122889 0.184E-01 0.934E-02
RMM: 6 -0.695932858640E+03 -0.85904E-04 -0.12160E-03117292 0.779E-02 0.328E-02
RMM: 7 -0.695932884896E+03 -0.26256E-04 -0.28885E-04125988 0.350E-02 0.130E-02
RMM: 8 -0.695932888592E+03 -0.36961E-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 -0.695923391581E+03 0.94933E-02 -0.17443E+01115326 0.986E+00 0.881E-01
RMM: 2 -0.695947802526E+03 -0.24411E-01 -0.31715E-01113880 0.124E+00 0.517E-01
RMM: 3 -0.695949153058E+03 -0.13505E-02 -0.33839E-02113994 0.436E-01 0.266E-01
RMM: 4 -0.695949455881E+03 -0.30282E-03 -0.77126E-03114435 0.195E-01 0.679E-02
RMM: 5 -0.695949606586E+03 -0.15070E-03 -0.16736E-03123036 0.804E-02 0.409E-02
RMM: 6 -0.695949624174E+03 -0.17588E-04 -0.23646E-04115767 0.342E-02 0.123E-02
RMM: 7 -0.695949628955E+03 -0.47816E-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 -0.695925955615E+03 0.23669E-01 -0.99371E+01113880 0.236E+01 0.216E+00
RMM: 2 -0.696076702398E+03 -0.15075E+00 -0.19366E+00113880 0.304E+00 0.125E+00
RMM: 3 -0.696087208728E+03 -0.10506E-01 -0.21537E-01114163 0.109E+00 0.705E-01
RMM: 4 -0.696088830962E+03 -0.16222E-02 -0.47304E-02114937 0.484E-01 0.202E-01
RMM: 5 -0.696089795558E+03 -0.96460E-03 -0.10079E-02122547 0.200E-01 0.105E-01
RMM: 6 -0.696089906610E+03 -0.11105E-03 -0.15155E-03119059 0.853E-02 0.374E-02
RMM: 7 -0.696089937089E+03 -0.30479E-04 -0.33921E-04125802 0.372E-02 0.141E-02
RMM: 8 -0.696089941142E+03 -0.40526E-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 -0.696087820203E+03 0.21169E-02 -0.42396E+00120138 0.488E+00 0.438E-01
RMM: 2 -0.696093787677E+03 -0.59675E-02 -0.77773E-02113880 0.615E-01 0.256E-01
RMM: 3 -0.696094151083E+03 -0.36341E-03 -0.84135E-03114096 0.218E-01 0.135E-01
RMM: 4 -0.696094235027E+03 -0.83944E-04 -0.19504E-03115011 0.974E-02 0.363E-02
RMM: 5 -0.696094273096E+03 -0.38070E-04 -0.41016E-04122799 0.400E-02 0.208E-02
RMM: 6 -0.696094277873E+03 -0.47771E-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 -0.696107246575E+03 -0.12973E-01 -0.61030E+01113880 0.185E+01 0.171E+00
RMM: 2 -0.696197059896E+03 -0.89813E-01 -0.11490E+00113880 0.237E+00 0.983E-01
RMM: 3 -0.696203352619E+03 -0.62927E-02 -0.13244E-01114713 0.851E-01 0.521E-01
RMM: 4 -0.696204410537E+03 -0.10579E-02 -0.28124E-02115398 0.374E-01 0.142E-01
RMM: 5 -0.696204928096E+03 -0.51756E-03 -0.58259E-03122108 0.155E-01 0.748E-02
RMM: 6 -0.696204994388E+03 -0.66292E-04 -0.94061E-04119085 0.664E-02 0.275E-02
RMM: 7 -0.696205013651E+03 -0.19263E-04 -0.21176E-04120416 0.291E-02 0.114E-02
RMM: 8 -0.696205016153E+03 -0.25016E-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 -0.696204204129E+03 0.80952E-03 -0.30727E+00120084 0.417E+00 0.381E-01
RMM: 2 -0.696208687070E+03 -0.44829E-02 -0.57619E-02113880 0.529E-01 0.221E-01
RMM: 3 -0.696208985669E+03 -0.29860E-03 -0.64264E-03114673 0.188E-01 0.115E-01
RMM: 4 -0.696209040168E+03 -0.54499E-04 -0.13861E-03115407 0.828E-02 0.313E-02
RMM: 5 -0.696209065199E+03 -0.25030E-04 -0.28322E-04121524 0.340E-02 0.167E-02
RMM: 6 -0.696209068409E+03 -0.32097E-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 -0.696211053684E+03 -0.19885E-02 -0.62160E+01113880 0.188E+01 0.176E+00
RMM: 2 -0.696303967552E+03 -0.92914E-01 -0.12086E+00113880 0.241E+00 0.101E+00
RMM: 3 -0.696311164626E+03 -0.71971E-02 -0.13955E-01113954 0.876E-01 0.557E-01
RMM: 4 -0.696312494143E+03 -0.13295E-02 -0.31443E-02115103 0.392E-01 0.164E-01
RMM: 5 -0.696313138720E+03 -0.64458E-03 -0.69160E-03122451 0.165E-01 0.817E-02
RMM: 6 -0.696313212634E+03 -0.73913E-04 -0.10585E-03119226 0.705E-02 0.301E-02
RMM: 7 -0.696313234745E+03 -0.22112E-04 -0.24558E-04123229 0.309E-02 0.123E-02
RMM: 8 -0.696313237268E+03 -0.25226E-05 -0.32455E-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 -0.696312797582E+03 0.43716E-03 -0.20646E+00120453 0.342E+00 0.316E-01
RMM: 2 -0.696315597992E+03 -0.28004E-02 -0.37147E-02113880 0.430E-01 0.182E-01
RMM: 3 -0.696315788578E+03 -0.19059E-03 -0.42342E-03113939 0.155E-01 0.944E-02
RMM: 4 -0.696315839446E+03 -0.50867E-04 -0.10069E-03115241 0.696E-02 0.267E-02
RMM: 5 -0.696315859489E+03 -0.20043E-04 -0.21676E-04121428 0.292E-02 0.143E-02
RMM: 6 -0.696315862155E+03 -0.26659E-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 -0.696337559073E+03 -0.21700E-01 -0.51786E+01113880 0.172E+01 0.158E+00
RMM: 2 -0.696406006721E+03 -0.68448E-01 -0.92347E-01113880 0.216E+00 0.907E-01
RMM: 3 -0.696410995286E+03 -0.49886E-02 -0.11076E-01114496 0.790E-01 0.474E-01
RMM: 4 -0.696412181219E+03 -0.11859E-02 -0.24965E-02115070 0.350E-01 0.138E-01
RMM: 5 -0.696412658060E+03 -0.47684E-03 -0.52044E-03122648 0.148E-01 0.733E-02
RMM: 6 -0.696412719250E+03 -0.61190E-04 -0.84447E-04119370 0.627E-02 0.248E-02
RMM: 7 -0.696412736751E+03 -0.17501E-04 -0.19200E-04120059 0.279E-02 0.103E-02
RMM: 8 -0.696412738948E+03 -0.21979E-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 -0.696412388071E+03 0.34868E-03 -0.34991E+00115818 0.446E+00 0.408E-01
RMM: 2 -0.696416866611E+03 -0.44785E-02 -0.61046E-02113880 0.556E-01 0.236E-01
RMM: 3 -0.696417175940E+03 -0.30933E-03 -0.72423E-03114443 0.203E-01 0.120E-01
RMM: 4 -0.696417259521E+03 -0.83581E-04 -0.16667E-03115136 0.900E-02 0.342E-02
RMM: 5 -0.696417290492E+03 -0.30971E-04 -0.34343E-04122565 0.379E-02 0.185E-02
RMM: 6 -0.696417294544E+03 -0.40525E-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 -0.696432886350E+03 -0.15596E-01 -0.50157E+01113880 0.169E+01 0.156E+00
RMM: 2 -0.696498947161E+03 -0.66061E-01 -0.88734E-01113880 0.211E+00 0.896E-01
RMM: 3 -0.696504005327E+03 -0.50582E-02 -0.10930E-01114741 0.779E-01 0.469E-01
RMM: 4 -0.696504979830E+03 -0.97450E-03 -0.23661E-02114861 0.344E-01 0.132E-01
RMM: 5 -0.696505422984E+03 -0.44315E-03 -0.49845E-03122624 0.146E-01 0.699E-02
RMM: 6 -0.696505480395E+03 -0.57411E-04 -0.82384E-04119060 0.617E-02 0.261E-02
RMM: 7 -0.696505497318E+03 -0.16923E-04 -0.18653E-04119544 0.278E-02 0.102E-02
RMM: 8 -0.696505499466E+03 -0.21480E-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 -0.696505158459E+03 0.33886E-03 -0.22712E+00120120 0.360E+00 0.330E-01
RMM: 2 -0.696508105927E+03 -0.29475E-02 -0.39797E-02113880 0.447E-01 0.190E-01
RMM: 3 -0.696508325899E+03 -0.21997E-03 -0.48607E-03114741 0.164E-01 0.974E-02
RMM: 4 -0.696508373397E+03 -0.47498E-04 -0.10627E-03114996 0.724E-02 0.272E-02
RMM: 5 -0.696508392787E+03 -0.19391E-04 -0.21968E-04121966 0.307E-02 0.146E-02
RMM: 6 -0.696508395414E+03 -0.26264E-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 -0.696524977531E+03 -0.16585E-01 -0.46180E+01113880 0.163E+01 0.150E+00
RMM: 2 -0.696583939295E+03 -0.58962E-01 -0.80910E-01113880 0.203E+00 0.879E-01
RMM: 3 -0.696588032375E+03 -0.40931E-02 -0.10021E-01113947 0.758E-01 0.461E-01
RMM: 4 -0.696589173691E+03 -0.11413E-02 -0.23828E-02115292 0.341E-01 0.144E-01
RMM: 5 -0.696589636848E+03 -0.46316E-03 -0.50111E-03122429 0.145E-01 0.739E-02
RMM: 6 -0.696589698816E+03 -0.61968E-04 -0.83141E-04119230 0.621E-02 0.211E-02
RMM: 7 -0.696589715692E+03 -0.16876E-04 -0.19383E-04121051 0.275E-02 0.109E-02
RMM: 8 -0.696589717295E+03 -0.16032E-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 -0.696589475930E+03 0.23976E-03 -0.23385E+00119994 0.366E+00 0.333E-01
RMM: 2 -0.696592362974E+03 -0.28870E-02 -0.39948E-02113880 0.452E-01 0.197E-01
RMM: 3 -0.696592556947E+03 -0.19397E-03 -0.49526E-03113930 0.169E-01 0.995E-02
RMM: 4 -0.696592619894E+03 -0.62947E-04 -0.12010E-03115390 0.761E-02 0.299E-02
RMM: 5 -0.696592642787E+03 -0.22893E-04 -0.25055E-04122255 0.323E-02 0.161E-02
RMM: 6 -0.696592645911E+03 -0.31238E-05 -0.40671E-05 89004 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 -0.696607124501E+03 -0.14482E-01 -0.40995E+01113880 0.153E+01 0.142E+00
RMM: 2 -0.696656153038E+03 -0.49029E-01 -0.69110E-01113880 0.190E+00 0.822E-01
RMM: 3 -0.696659246791E+03 -0.30938E-02 -0.90117E-02114673 0.715E-01 0.400E-01
RMM: 4 -0.696660298094E+03 -0.10513E-02 -0.20199E-02116137 0.314E-01 0.130E-01
RMM: 5 -0.696660636204E+03 -0.33811E-03 -0.38545E-03121455 0.132E-01 0.663E-02
RMM: 6 -0.696660696239E+03 -0.60035E-04 -0.72465E-04120004 0.575E-02 0.172E-02
RMM: 7 -0.696660710243E+03 -0.14004E-04 -0.16376E-04117235 0.255E-02 0.104E-02
RMM: 8 -0.696660712013E+03 -0.17703E-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 -0.696660773172E+03 -0.62929E-04 -0.32347E-01125268 0.136E+00 0.125E-01
RMM: 2 -0.696661158823E+03 -0.38565E-03 -0.54504E-03113880 0.168E-01 0.730E-02
RMM: 3 -0.696661182121E+03 -0.23298E-04 -0.71270E-04114700 0.634E-02 0.351E-02
RMM: 4 -0.696661190610E+03 -0.84882E-05 -0.16114E-04115176 0.279E-02 0.112E-02
RMM: 5 -0.696661193093E+03 -0.24832E-05 -0.29741E-05 79467 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 -0.696683414693E+03 -0.22224E-01 -0.30648E+01113880 0.133E+01 0.122E+00
RMM: 2 -0.696720319632E+03 -0.36905E-01 -0.51602E-01113880 0.164E+00 0.721E-01
RMM: 3 -0.696722400392E+03 -0.20808E-02 -0.67237E-02114534 0.617E-01 0.353E-01
RMM: 4 -0.696723133607E+03 -0.73322E-03 -0.15133E-02115564 0.274E-01 0.112E-01
RMM: 5 -0.696723389236E+03 -0.25563E-03 -0.29982E-03121743 0.116E-01 0.596E-02
RMM: 6 -0.696723430433E+03 -0.41197E-04 -0.52932E-04117971 0.502E-02 0.160E-02
RMM: 7 -0.696723441402E+03 -0.10969E-04 -0.13176E-04115476 0.231E-02 0.951E-03
RMM: 8 -0.696723442871E+03 -0.14686E-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 -0.696723658413E+03 -0.21701E-03 -0.20085E+00118062 0.339E+00 0.310E-01
RMM: 2 -0.696726012616E+03 -0.23542E-02 -0.33168E-02113880 0.416E-01 0.184E-01
RMM: 3 -0.696726140240E+03 -0.12762E-03 -0.43355E-03114537 0.157E-01 0.869E-02
RMM: 4 -0.696726193434E+03 -0.53194E-04 -0.98667E-04115847 0.694E-02 0.273E-02
RMM: 5 -0.696726209547E+03 -0.16113E-04 -0.19106E-04120346 0.292E-02 0.150E-02
RMM: 6 -0.696726212365E+03 -0.28180E-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 -0.696744514013E+03 -0.18304E-01 -0.29378E+01113880 0.130E+01 0.119E+00
RMM: 2 -0.696780070883E+03 -0.35557E-01 -0.50290E-01113880 0.161E+00 0.735E-01
RMM: 3 -0.696781463635E+03 -0.13928E-02 -0.63328E-02114075 0.603E-01 0.377E-01
RMM: 4 -0.696781960715E+03 -0.49708E-03 -0.15253E-02115021 0.274E-01 0.117E-01
RMM: 5 -0.696782232855E+03 -0.27214E-03 -0.31562E-03122671 0.116E-01 0.639E-02
RMM: 6 -0.696782270292E+03 -0.37437E-04 -0.53791E-04117946 0.507E-02 0.170E-02
RMM: 7 -0.696782281718E+03 -0.11426E-04 -0.12983E-04115005 0.227E-02 0.944E-03
RMM: 8 -0.696782282912E+03 -0.11941E-05 -0.16589E-05 73853 0.855E-03
126 F= -.69678228E+03 E0= -.69679076E+03 d E =-.560705E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.696782458201E+03 -0.17648E-03 -0.52449E-01124530 0.173E+00 0.159E-01
RMM: 2 -0.696783083267E+03 -0.62507E-03 -0.88830E-03113880 0.215E-01 0.981E-02
RMM: 3 -0.696783106549E+03 -0.23282E-04 -0.11226E-03114064 0.803E-02 0.495E-02
RMM: 4 -0.696783116539E+03 -0.99905E-05 -0.27352E-04114545 0.365E-02 0.154E-02
RMM: 5 -0.696783121240E+03 -0.47006E-05 -0.55237E-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 -0.696799440285E+03 -0.16324E-01 -0.23011E+01113880 0.115E+01 0.107E+00
RMM: 2 -0.696827984717E+03 -0.28544E-01 -0.39764E-01113880 0.143E+00 0.627E-01
RMM: 3 -0.696829524060E+03 -0.15393E-02 -0.50308E-02114659 0.533E-01 0.302E-01
RMM: 4 -0.696830025790E+03 -0.50173E-03 -0.10922E-02115115 0.234E-01 0.897E-02
RMM: 5 -0.696830206702E+03 -0.18091E-03 -0.21937E-03122387 0.987E-02 0.468E-02
RMM: 6 -0.696830234767E+03 -0.28065E-04 -0.37870E-04118627 0.423E-02 0.154E-02
RMM: 7 -0.696830240954E+03 -0.61876E-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 -0.696830447578E+03 -0.21281E-03 -0.42337E-01123351 0.156E+00 0.145E-01
RMM: 2 -0.696830977681E+03 -0.53010E-03 -0.73489E-03113880 0.195E-01 0.853E-02
RMM: 3 -0.696831005766E+03 -0.28086E-04 -0.93447E-04114701 0.726E-02 0.410E-02
RMM: 4 -0.696831015382E+03 -0.96159E-05 -0.20508E-04114891 0.320E-02 0.124E-02
RMM: 5 -0.696831018453E+03 -0.30710E-05 -0.38860E-05 84654 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 -0.696845572552E+03 -0.14557E-01 -0.19869E+01113880 0.107E+01 0.101E+00
RMM: 2 -0.696870948542E+03 -0.25376E-01 -0.35469E-01113880 0.135E+00 0.601E-01
RMM: 3 -0.696872244330E+03 -0.12958E-02 -0.43751E-02114270 0.500E-01 0.306E-01
RMM: 4 -0.696872638814E+03 -0.39448E-03 -0.10528E-02114731 0.226E-01 0.899E-02
RMM: 5 -0.696872827574E+03 -0.18876E-03 -0.22229E-03123402 0.967E-02 0.497E-02
RMM: 6 -0.696872849079E+03 -0.21504E-04 -0.34123E-04117174 0.405E-02 0.146E-02
RMM: 7 -0.696872855958E+03 -0.68794E-05 -0.82685E-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 -0.696873018246E+03 -0.16917E-03 -0.37229E-01123891 0.146E+00 0.138E-01
RMM: 2 -0.696873485679E+03 -0.46743E-03 -0.65807E-03113880 0.184E-01 0.819E-02
RMM: 3 -0.696873509962E+03 -0.24282E-04 -0.82158E-04114315 0.685E-02 0.407E-02
RMM: 4 -0.696873518557E+03 -0.85958E-05 -0.19949E-04114542 0.310E-02 0.120E-02
RMM: 5 -0.696873521878E+03 -0.33209E-05 -0.39396E-05 84718 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 -0.696886770468E+03 -0.13252E-01 -0.20580E+01113880 0.109E+01 0.103E+00
RMM: 2 -0.696912720940E+03 -0.25950E-01 -0.36086E-01113880 0.136E+00 0.604E-01
RMM: 3 -0.696914146651E+03 -0.14257E-02 -0.44140E-02114259 0.502E-01 0.302E-01
RMM: 4 -0.696914624367E+03 -0.47772E-03 -0.10625E-02115268 0.226E-01 0.905E-02
RMM: 5 -0.696914807560E+03 -0.18319E-03 -0.21701E-03122857 0.952E-02 0.492E-02
RMM: 6 -0.696914831509E+03 -0.23948E-04 -0.35842E-04117351 0.411E-02 0.139E-02
RMM: 7 -0.696914838907E+03 -0.73983E-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 -0.696915023004E+03 -0.19149E-03 -0.49099E-01122541 0.168E+00 0.158E-01
RMM: 2 -0.696915643262E+03 -0.62026E-03 -0.86359E-03113880 0.210E-01 0.935E-02
RMM: 3 -0.696915677479E+03 -0.34216E-04 -0.10641E-03114322 0.779E-02 0.470E-02
RMM: 4 -0.696915689108E+03 -0.11629E-04 -0.25712E-04115436 0.351E-02 0.144E-02
RMM: 5 -0.696915693159E+03 -0.40513E-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 -0.696923754900E+03 -0.80658E-02 -0.19593E+01113880 0.106E+01 0.101E+00
RMM: 2 -0.696948889426E+03 -0.25135E-01 -0.34834E-01113880 0.134E+00 0.585E-01
RMM: 3 -0.696950489606E+03 -0.16002E-02 -0.43888E-02114601 0.497E-01 0.293E-01
RMM: 4 -0.696950883723E+03 -0.39412E-03 -0.97259E-03114967 0.220E-01 0.858E-02
RMM: 5 -0.696951063590E+03 -0.17987E-03 -0.20682E-03123384 0.938E-02 0.466E-02
RMM: 6 -0.696951086069E+03 -0.22480E-04 -0.33274E-04118145 0.395E-02 0.164E-02
RMM: 7 -0.696951092027E+03 -0.59573E-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 -0.696951113918E+03 -0.27848E-04 -0.27240E-02132090 0.396E-01 0.375E-02
RMM: 2 -0.696951149910E+03 -0.35993E-04 -0.49373E-04113880 0.504E-02 0.220E-02
RMM: 3 -0.696951152308E+03 -0.23978E-05 -0.63927E-05105292 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 -0.696961614142E+03 -0.10464E-01 -0.15777E+01113880 0.954E+00 0.902E-01
RMM: 2 -0.696981496599E+03 -0.19882E-01 -0.27402E-01113880 0.119E+00 0.537E-01
RMM: 3 -0.696982611170E+03 -0.11146E-02 -0.34478E-02114335 0.442E-01 0.260E-01
RMM: 4 -0.696983001745E+03 -0.39058E-03 -0.81368E-03115725 0.197E-01 0.780E-02
RMM: 5 -0.696983145949E+03 -0.14420E-03 -0.16732E-03123218 0.836E-02 0.417E-02
RMM: 6 -0.696983165872E+03 -0.19923E-04 -0.27386E-04118477 0.355E-02 0.117E-02
RMM: 7 -0.696983171011E+03 -0.51389E-05 -0.61028E-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 -0.696983265686E+03 -0.99814E-04 -0.15567E-01125673 0.947E-01 0.894E-02
RMM: 2 -0.696983460886E+03 -0.19520E-03 -0.27023E-03113880 0.118E-01 0.533E-02
RMM: 3 -0.696983471947E+03 -0.11061E-04 -0.34533E-04114429 0.442E-02 0.253E-02
RMM: 4 -0.696983476186E+03 -0.42394E-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 -0.696992659911E+03 -0.91880E-02 -0.15525E+01113880 0.943E+00 0.907E-01
RMM: 2 -0.697011433186E+03 -0.18773E-01 -0.26240E-01113880 0.117E+00 0.525E-01
RMM: 3 -0.697012329350E+03 -0.89616E-03 -0.33080E-02114357 0.436E-01 0.240E-01
RMM: 4 -0.697012740595E+03 -0.41124E-03 -0.78050E-03116406 0.193E-01 0.735E-02
RMM: 5 -0.697012864998E+03 -0.12440E-03 -0.14770E-03122061 0.802E-02 0.400E-02
RMM: 6 -0.697012885101E+03 -0.20103E-04 -0.25849E-04118785 0.344E-02 0.103E-02
RMM: 7 -0.697012889891E+03 -0.47901E-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 -0.697012935043E+03 -0.49942E-04 -0.52398E-02131325 0.548E-01 0.524E-02
RMM: 2 -0.697013000096E+03 -0.65053E-04 -0.90421E-04113880 0.687E-02 0.307E-02
RMM: 3 -0.697013003273E+03 -0.31768E-05 -0.11722E-04114461 0.258E-02 0.140E-02
RMM: 4 -0.697013004656E+03 -0.13832E-05 -0.27241E-05 76673 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 -0.697022376606E+03 -0.93733E-02 -0.15043E+01113880 0.931E+00 0.884E-01
RMM: 2 -0.697039577707E+03 -0.17201E-01 -0.24920E-01113880 0.115E+00 0.525E-01
RMM: 3 -0.697040327849E+03 -0.75014E-03 -0.31239E-02113880 0.427E-01 0.252E-01
RMM: 4 -0.697040688785E+03 -0.36094E-03 -0.74610E-03114749 0.192E-01 0.781E-02
RMM: 5 -0.697040828824E+03 -0.14004E-03 -0.16316E-03123454 0.820E-02 0.425E-02
RMM: 6 -0.697040847985E+03 -0.19161E-04 -0.25949E-04117628 0.349E-02 0.120E-02
RMM: 7 -0.697040852587E+03 -0.46023E-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 -0.697040909808E+03 -0.61823E-04 -0.76197E-02128850 0.662E-01 0.626E-02
RMM: 2 -0.697040997209E+03 -0.87401E-04 -0.12709E-03113880 0.820E-02 0.374E-02
RMM: 3 -0.697041000959E+03 -0.37502E-05 -0.16261E-04113882 0.308E-02 0.177E-02
RMM: 4 -0.697041003071E+03 -0.21120E-05 -0.39647E-05 90533 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 -0.697046959225E+03 -0.59583E-02 -0.14611E+01113880 0.918E+00 0.876E-01
RMM: 2 -0.697064995879E+03 -0.18037E-01 -0.25151E-01113880 0.115E+00 0.521E-01
RMM: 3 -0.697065763635E+03 -0.76776E-03 -0.30846E-02114270 0.423E-01 0.244E-01
RMM: 4 -0.697066125100E+03 -0.36147E-03 -0.72523E-03115281 0.189E-01 0.697E-02
RMM: 5 -0.697066250282E+03 -0.12518E-03 -0.14972E-03122826 0.793E-02 0.395E-02
RMM: 6 -0.697066267459E+03 -0.17178E-04 -0.24090E-04117287 0.337E-02 0.103E-02
RMM: 7 -0.697066272076E+03 -0.46167E-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 -0.697066289017E+03 -0.21557E-04 -0.17765E-02133107 0.320E-01 0.306E-02
RMM: 2 -0.697066311407E+03 -0.22391E-04 -0.31168E-04113880 0.404E-02 0.184E-02
RMM: 3 -0.697066312426E+03 -0.10185E-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 -0.697075174789E+03 -0.88634E-02 -0.12526E+01113892 0.848E+00 0.814E-01
RMM: 2 -0.697089228225E+03 -0.14053E-01 -0.20501E-01113880 0.105E+00 0.486E-01
RMM: 3 -0.697089648439E+03 -0.42021E-03 -0.25980E-02114090 0.391E-01 0.210E-01
RMM: 4 -0.697090003478E+03 -0.35504E-03 -0.61070E-03115934 0.173E-01 0.677E-02
RMM: 5 -0.697090100976E+03 -0.97499E-04 -0.12052E-03122022 0.725E-02 0.375E-02
RMM: 6 -0.697090116581E+03 -0.15605E-04 -0.20363E-04116306 0.313E-02 0.930E-03
RMM: 7 -0.697090120739E+03 -0.41583E-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 -0.697090181732E+03 -0.65151E-04 -0.69879E-02129480 0.633E-01 0.605E-02
RMM: 2 -0.697090261523E+03 -0.79790E-04 -0.11610E-03113880 0.786E-02 0.364E-02
RMM: 3 -0.697090263832E+03 -0.23090E-05 -0.15059E-04114126 0.297E-02 0.156E-02
RMM: 4 -0.697090265950E+03 -0.21178E-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 -0.697099799875E+03 -0.95360E-02 -0.11982E+01113892 0.829E+00 0.803E-01
RMM: 2 -0.697112202665E+03 -0.12403E-01 -0.19061E-01113880 0.101E+00 0.487E-01
RMM: 3 -0.697112525187E+03 -0.32252E-03 -0.25057E-02113883 0.383E-01 0.210E-01
RMM: 4 -0.697112910958E+03 -0.38577E-03 -0.61166E-03116226 0.172E-01 0.704E-02
RMM: 5 -0.697113006443E+03 -0.95485E-04 -0.12081E-03121757 0.718E-02 0.381E-02
RMM: 6 -0.697113023252E+03 -0.16810E-04 -0.20728E-04116720 0.314E-02 0.100E-02
RMM: 7 -0.697113027323E+03 -0.40710E-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 -0.697113098336E+03 -0.75084E-04 -0.77036E-02128310 0.664E-01 0.642E-02
RMM: 2 -0.697113177118E+03 -0.78782E-04 -0.12286E-03113880 0.811E-02 0.390E-02
RMM: 3 -0.697113179043E+03 -0.19247E-05 -0.16585E-04113885 0.311E-02 0.163E-02
RMM: 4 -0.697113181902E+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 -0.697116829927E+03 -0.36509E-02 -0.10247E+01113886 0.768E+00 0.749E-01
RMM: 2 -0.697128125159E+03 -0.11295E-01 -0.17086E-01113880 0.956E-01 0.453E-01
RMM: 3 -0.697128379308E+03 -0.25415E-03 -0.22835E-02114353 0.364E-01 0.195E-01
RMM: 4 -0.697128707177E+03 -0.32787E-03 -0.55338E-03117920 0.162E-01 0.658E-02
RMM: 5 -0.697128776141E+03 -0.68964E-04 -0.92357E-04119968 0.654E-02 0.352E-02
RMM: 6 -0.697128790231E+03 -0.14090E-04 -0.18221E-04116057 0.295E-02 0.822E-03
RMM: 7 -0.697128793527E+03 -0.32956E-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 -0.697128915662E+03 -0.12543E-03 -0.15341E-01120120 0.940E-01 0.915E-02
RMM: 2 -0.697129082801E+03 -0.16714E-03 -0.25385E-03113880 0.116E-01 0.554E-02
RMM: 3 -0.697129086075E+03 -0.32737E-05 -0.33339E-04114305 0.440E-02 0.240E-02
RMM: 4 -0.697129090586E+03 -0.45109E-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 -0.697137236402E+03 -0.81503E-02 -0.67809E+00113892 0.624E+00 0.608E-01
RMM: 2 -0.697144226241E+03 -0.69898E-02 -0.10833E-01113880 0.766E-01 0.364E-01
RMM: 3 -0.697144363012E+03 -0.13677E-03 -0.14346E-02114016 0.291E-01 0.155E-01
RMM: 4 -0.697144560516E+03 -0.19750E-03 -0.33850E-03116115 0.129E-01 0.528E-02
RMM: 5 -0.697144610479E+03 -0.49963E-04 -0.65736E-04121513 0.537E-02 0.281E-02
RMM: 6 -0.697144619676E+03 -0.91973E-05 -0.11792E-04108933 0.239E-02 0.715E-03
RMM: 7 -0.697144621869E+03 -0.21926E-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 -0.697144734068E+03 -0.11439E-03 -0.12421E-01124917 0.844E-01 0.823E-02
RMM: 2 -0.697144863244E+03 -0.12918E-03 -0.19970E-03113880 0.104E-01 0.495E-02
RMM: 3 -0.697144866003E+03 -0.27591E-05 -0.26945E-04114023 0.398E-02 0.208E-02
RMM: 4 -0.697144870048E+03 -0.40449E-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 -0.697152987164E+03 -0.81212E-02 -0.61833E+00113892 0.595E+00 0.588E-01
RMM: 2 -0.697159203830E+03 -0.62167E-02 -0.98095E-02113880 0.732E-01 0.348E-01
RMM: 3 -0.697159396597E+03 -0.19277E-03 -0.13231E-02114019 0.279E-01 0.151E-01
RMM: 4 -0.697159594553E+03 -0.19796E-03 -0.32085E-03115880 0.125E-01 0.491E-02
RMM: 5 -0.697159646845E+03 -0.52292E-04 -0.64615E-04121748 0.526E-02 0.257E-02
RMM: 6 -0.697159655976E+03 -0.91312E-05 -0.11074E-04109576 0.229E-02 0.725E-03
RMM: 7 -0.697159658101E+03 -0.21246E-05 -0.24375E-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 -0.697159881249E+03 -0.22527E-03 -0.23717E-01120156 0.116E+00 0.115E-01
RMM: 2 -0.697160116846E+03 -0.23560E-03 -0.37572E-03113880 0.143E-01 0.678E-02
RMM: 3 -0.697160123889E+03 -0.70432E-05 -0.51274E-04114026 0.549E-02 0.291E-02
RMM: 4 -0.697160131816E+03 -0.79264E-05 -0.12438E-04114686 0.245E-02 0.945E-03
RMM: 5 -0.697160133805E+03 -0.19896E-05 -0.23870E-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 -0.697166162339E+03 -0.60305E-02 -0.51578E+00113880 0.542E+00 0.539E-01
RMM: 2 -0.697171686622E+03 -0.55243E-02 -0.85055E-02113880 0.680E-01 0.315E-01
RMM: 3 -0.697171852500E+03 -0.16588E-03 -0.11635E-02114315 0.261E-01 0.137E-01
RMM: 4 -0.697172012644E+03 -0.16014E-03 -0.27504E-03117514 0.115E-01 0.489E-02
RMM: 5 -0.697172047118E+03 -0.34474E-04 -0.46961E-04120104 0.470E-02 0.244E-02
RMM: 6 -0.697172054510E+03 -0.73919E-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 -0.697172133387E+03 -0.86269E-04 -0.54609E-02126951 0.557E-01 0.554E-02
RMM: 2 -0.697172194192E+03 -0.60805E-04 -0.92269E-04113880 0.708E-02 0.328E-02
RMM: 3 -0.697172196338E+03 -0.21461E-05 -0.12926E-04114356 0.274E-02 0.145E-02
RMM: 4 -0.697172198073E+03 -0.17342E-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 -0.697178738510E+03 -0.65422E-02 -0.50815E+00113880 0.537E+00 0.526E-01
RMM: 2 -0.697183929319E+03 -0.51908E-02 -0.81849E-02113880 0.668E-01 0.310E-01
RMM: 3 -0.697184095199E+03 -0.16588E-03 -0.11075E-02113937 0.256E-01 0.136E-01
RMM: 4 -0.697184259957E+03 -0.16476E-03 -0.27080E-03116687 0.114E-01 0.476E-02
RMM: 5 -0.697184300093E+03 -0.40136E-04 -0.50385E-04120712 0.478E-02 0.253E-02
RMM: 6 -0.697184307913E+03 -0.78202E-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 -0.697184570983E+03 -0.27089E-03 -0.25830E-01120084 0.121E+00 0.118E-01
RMM: 2 -0.697184837385E+03 -0.26640E-03 -0.41924E-03113880 0.151E-01 0.702E-02
RMM: 3 -0.697184846177E+03 -0.87918E-05 -0.57417E-04113928 0.583E-02 0.307E-02
RMM: 4 -0.697184855214E+03 -0.90368E-05 -0.14249E-04117043 0.260E-02 0.107E-02
RMM: 5 -0.697184857229E+03 -0.20151E-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 -0.697190550194E+03 -0.56950E-02 -0.53187E+00113880 0.548E+00 0.537E-01
RMM: 2 -0.697195926979E+03 -0.53768E-02 -0.86383E-02113880 0.686E-01 0.315E-01
RMM: 3 -0.697196085608E+03 -0.15863E-03 -0.11690E-02114226 0.262E-01 0.143E-01
RMM: 4 -0.697196241677E+03 -0.15607E-03 -0.28766E-03115933 0.118E-01 0.459E-02
RMM: 5 -0.697196286014E+03 -0.44336E-04 -0.55992E-04121397 0.494E-02 0.247E-02
RMM: 6 -0.697196293769E+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 -0.697196436824E+03 -0.15081E-03 -0.12858E-01124017 0.852E-01 0.832E-02
RMM: 2 -0.697196569113E+03 -0.13229E-03 -0.21168E-03113880 0.107E-01 0.492E-02
RMM: 3 -0.697196573313E+03 -0.42000E-05 -0.29146E-04114285 0.413E-02 0.224E-02
RMM: 4 -0.697196577470E+03 -0.41569E-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 -0.697200706654E+03 -0.41333E-02 -0.47898E+00113880 0.519E+00 0.510E-01
RMM: 2 -0.697205580393E+03 -0.48737E-02 -0.77391E-02113880 0.649E-01 0.303E-01
RMM: 3 -0.697205711956E+03 -0.13156E-03 -0.10459E-02114487 0.247E-01 0.142E-01
RMM: 4 -0.697205818712E+03 -0.10676E-03 -0.24492E-03115701 0.110E-01 0.462E-02
RMM: 5 -0.697205857615E+03 -0.38902E-04 -0.49096E-04122157 0.464E-02 0.243E-02
RMM: 6 -0.697205863576E+03 -0.59614E-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 -0.697205907457E+03 -0.49842E-04 -0.29692E-02127608 0.409E-01 0.399E-02
RMM: 2 -0.697205939101E+03 -0.31645E-04 -0.49885E-04113880 0.520E-02 0.239E-02
RMM: 3 -0.697205940246E+03 -0.11448E-05 -0.69787E-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 -0.697209174593E+03 -0.32355E-02 -0.44833E+00113886 0.503E+00 0.489E-01
RMM: 2 -0.697213531760E+03 -0.43572E-02 -0.71111E-02113880 0.624E-01 0.288E-01
RMM: 3 -0.697213638762E+03 -0.10700E-03 -0.97057E-03113999 0.240E-01 0.133E-01
RMM: 4 -0.697213775640E+03 -0.13688E-03 -0.24582E-03116560 0.108E-01 0.450E-02
RMM: 5 -0.697213811291E+03 -0.35651E-04 -0.45751E-04120659 0.451E-02 0.236E-02
RMM: 6 -0.697213818068E+03 -0.67770E-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 -0.697213828981E+03 -0.17689E-04 -0.36337E-03131820 0.143E-01 0.142E-02
RMM: 2 -0.697213832836E+03 -0.38554E-05 -0.63948E-05111423 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 -0.697217642536E+03 -0.38136E-02 -0.37225E+00113886 0.459E+00 0.444E-01
RMM: 2 -0.697221258927E+03 -0.36164E-02 -0.58343E-02113880 0.566E-01 0.259E-01
RMM: 3 -0.697221374847E+03 -0.11592E-03 -0.80383E-03114408 0.218E-01 0.119E-01
RMM: 4 -0.697221483472E+03 -0.10863E-03 -0.19757E-03117082 0.972E-02 0.381E-02
RMM: 5 -0.697221511089E+03 -0.27616E-04 -0.35189E-04120436 0.402E-02 0.203E-02
RMM: 6 -0.697221516249E+03 -0.51600E-05 -0.65473E-05103241 0.178E-02
164 F= -.69722152E+03 E0= -.69722793E+03 d E =-.768341E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697221655725E+03 -0.14464E-03 -0.14823E-01120048 0.915E-01 0.880E-02
RMM: 2 -0.697221802990E+03 -0.14727E-03 -0.23501E-03113880 0.114E-01 0.517E-02
RMM: 3 -0.697221808245E+03 -0.52546E-05 -0.32731E-04114472 0.438E-02 0.239E-02
RMM: 4 -0.697221812767E+03 -0.45221E-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 -0.697224879251E+03 -0.30710E-02 -0.36770E+00113886 0.457E+00 0.445E-01
RMM: 2 -0.697228600439E+03 -0.37212E-02 -0.59284E-02113880 0.568E-01 0.263E-01
RMM: 3 -0.697228737159E+03 -0.13672E-03 -0.81237E-03114437 0.218E-01 0.127E-01
RMM: 4 -0.697228817271E+03 -0.80112E-04 -0.19542E-03115883 0.979E-02 0.403E-02
RMM: 5 -0.697228851717E+03 -0.34446E-04 -0.39418E-04122821 0.416E-02 0.219E-02
RMM: 6 -0.697228856370E+03 -0.46530E-05 -0.63970E-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 -0.697228902373E+03 -0.50657E-04 -0.32512E-02127698 0.430E-01 0.416E-02
RMM: 2 -0.697228935932E+03 -0.33559E-04 -0.53740E-04113880 0.540E-02 0.248E-02
RMM: 3 -0.697228937358E+03 -0.14261E-05 -0.75948E-05113522 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 -0.697231519903E+03 -0.25840E-02 -0.35766E+00113892 0.452E+00 0.440E-01
RMM: 2 -0.697235004419E+03 -0.34845E-02 -0.56123E-02113880 0.556E-01 0.255E-01
RMM: 3 -0.697235186511E+03 -0.18209E-03 -0.78380E-03114279 0.214E-01 0.120E-01
RMM: 4 -0.697235296368E+03 -0.10986E-03 -0.19486E-03116745 0.967E-02 0.379E-02
RMM: 5 -0.697235326093E+03 -0.29725E-04 -0.36488E-04121682 0.404E-02 0.197E-02
RMM: 6 -0.697235331217E+03 -0.51245E-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 -0.697235375573E+03 -0.49480E-04 -0.35874E-02126636 0.452E-01 0.438E-02
RMM: 2 -0.697235411308E+03 -0.35735E-04 -0.57321E-04113880 0.561E-02 0.256E-02
RMM: 3 -0.697235413350E+03 -0.20417E-05 -0.82406E-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 -0.697237912243E+03 -0.25009E-02 -0.34426E+00113886 0.443E+00 0.430E-01
RMM: 2 -0.697241313954E+03 -0.34017E-02 -0.53567E-02113880 0.542E-01 0.252E-01
RMM: 3 -0.697241463128E+03 -0.14917E-03 -0.75764E-03114312 0.210E-01 0.115E-01
RMM: 4 -0.697241572196E+03 -0.10907E-03 -0.18909E-03116906 0.948E-02 0.377E-02
RMM: 5 -0.697241601131E+03 -0.28935E-04 -0.34950E-04121604 0.397E-02 0.205E-02
RMM: 6 -0.697241605853E+03 -0.47219E-05 -0.60339E-05100854 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 -0.697241656908E+03 -0.55777E-04 -0.39856E-02125484 0.477E-01 0.460E-02
RMM: 2 -0.697241697629E+03 -0.40721E-04 -0.63265E-04113880 0.589E-02 0.272E-02
RMM: 3 -0.697241699730E+03 -0.21008E-05 -0.91697E-05114372 0.231E-02
171 F= -.69724170E+03 E0= -.69724805E+03 d E =-.628638E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697244103998E+03 -0.24064E-02 -0.32387E+00113880 0.431E+00 0.414E-01
RMM: 2 -0.697247398005E+03 -0.32940E-02 -0.50021E-02113880 0.523E-01 0.245E-01
RMM: 3 -0.697247523450E+03 -0.12544E-03 -0.70360E-03114246 0.203E-01 0.107E-01
RMM: 4 -0.697247632464E+03 -0.10901E-03 -0.17543E-03117552 0.910E-02 0.363E-02
RMM: 5 -0.697247659216E+03 -0.26753E-04 -0.31180E-04121398 0.379E-02 0.203E-02
RMM: 6 -0.697247663867E+03 -0.46505E-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 -0.697247727799E+03 -0.68583E-04 -0.58538E-02124197 0.579E-01 0.554E-02
RMM: 2 -0.697247787841E+03 -0.60042E-04 -0.91443E-04113880 0.707E-02 0.331E-02
RMM: 3 -0.697247790386E+03 -0.25447E-05 -0.13144E-04114332 0.276E-02 0.145E-02
RMM: 4 -0.697247792584E+03 -0.21979E-05 -0.32780E-05 80091 0.124E-02
173 F= -.69724779E+03 E0= -.69725411E+03 d E =-.609285E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697250772941E+03 -0.29826E-02 -0.26693E+00113880 0.391E+00 0.375E-01
RMM: 2 -0.697253355425E+03 -0.25825E-02 -0.39867E-02113880 0.469E-01 0.219E-01
RMM: 3 -0.697253469020E+03 -0.11360E-03 -0.56107E-03114191 0.181E-01 0.929E-02
RMM: 4 -0.697253568054E+03 -0.99034E-04 -0.14050E-03117829 0.809E-02 0.316E-02
RMM: 5 -0.697253587088E+03 -0.19034E-04 -0.24244E-04120698 0.336E-02 0.170E-02
RMM: 6 -0.697253590708E+03 -0.36203E-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 -0.697253782803E+03 -0.19571E-03 -0.23490E-01117750 0.116E+00 0.111E-01
RMM: 2 -0.697254011972E+03 -0.22917E-03 -0.35333E-03113880 0.139E-01 0.651E-02
RMM: 3 -0.697254022563E+03 -0.10592E-04 -0.50220E-04114231 0.542E-02 0.276E-02
RMM: 4 -0.697254031608E+03 -0.90446E-05 -0.12629E-04117080 0.242E-02 0.948E-03
RMM: 5 -0.697254033149E+03 -0.15406E-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 -0.697256543326E+03 -0.25117E-02 -0.22538E+00113880 0.360E+00 0.345E-01
RMM: 2 -0.697258781341E+03 -0.22380E-02 -0.35086E-02113880 0.437E-01 0.202E-01
RMM: 3 -0.697258870657E+03 -0.89316E-04 -0.47943E-03114069 0.168E-01 0.933E-02
RMM: 4 -0.697258937433E+03 -0.66775E-04 -0.12127E-03116294 0.759E-02 0.301E-02
RMM: 5 -0.697258957619E+03 -0.20186E-04 -0.23799E-04121949 0.322E-02 0.172E-02
RMM: 6 -0.697258960496E+03 -0.28769E-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 -0.697259049508E+03 -0.91889E-04 -0.83827E-02122523 0.695E-01 0.665E-02
RMM: 2 -0.697259133849E+03 -0.84341E-04 -0.13146E-03113880 0.846E-02 0.391E-02
RMM: 3 -0.697259137608E+03 -0.37590E-05 -0.18252E-04114223 0.326E-02 0.182E-02
RMM: 4 -0.697259140262E+03 -0.26543E-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 -0.697260684271E+03 -0.15467E-02 -0.24272E+00113880 0.375E+00 0.352E-01
RMM: 2 -0.697263267253E+03 -0.25830E-02 -0.38090E-02113880 0.454E-01 0.207E-01
RMM: 3 -0.697263382931E+03 -0.11568E-03 -0.50173E-03113946 0.173E-01 0.964E-02
RMM: 4 -0.697263453737E+03 -0.70806E-04 -0.12494E-03116710 0.773E-02 0.319E-02
RMM: 5 -0.697263474050E+03 -0.20312E-04 -0.23945E-04121957 0.323E-02 0.174E-02
RMM: 6 -0.697263477167E+03 -0.31175E-05 -0.39522E-05 87994 0.140E-02
178 F= -.69726348E+03 E0= -.69726971E+03 d E =-.433691E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697263510327E+03 -0.36278E-04 -0.32651E-02125115 0.435E-01 0.407E-02
RMM: 2 -0.697263545524E+03 -0.35196E-04 -0.51923E-04113880 0.530E-02 0.242E-02
RMM: 3 -0.697263547312E+03 -0.17889E-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 -0.697265102634E+03 -0.15571E-02 -0.17356E+00113886 0.317E+00 0.295E-01
RMM: 2 -0.697267005482E+03 -0.19028E-02 -0.27766E-02113880 0.387E-01 0.172E-01
RMM: 3 -0.697267094981E+03 -0.89499E-04 -0.36238E-03114074 0.147E-01 0.741E-02
RMM: 4 -0.697267151924E+03 -0.56943E-04 -0.88663E-04116985 0.653E-02 0.227E-02
RMM: 5 -0.697267164885E+03 -0.12961E-04 -0.16234E-04120290 0.271E-02 0.126E-02
RMM: 6 -0.697267167173E+03 -0.22877E-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 -0.697267218266E+03 -0.53381E-04 -0.54574E-02121182 0.562E-01 0.521E-02
RMM: 2 -0.697267278809E+03 -0.60542E-04 -0.88077E-04113880 0.689E-02 0.304E-02
RMM: 3 -0.697267281730E+03 -0.29213E-05 -0.11645E-04114183 0.263E-02 0.132E-02
RMM: 4 -0.697267283530E+03 -0.18001E-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 -0.697268841810E+03 -0.15601E-02 -0.18345E+00113904 0.325E+00 0.303E-01
RMM: 2 -0.697270817103E+03 -0.19753E-02 -0.29429E-02113880 0.399E-01 0.177E-01
RMM: 3 -0.697270901801E+03 -0.84698E-04 -0.37955E-03113910 0.151E-01 0.799E-02
RMM: 4 -0.697270958256E+03 -0.56455E-04 -0.91914E-04116302 0.668E-02 0.266E-02
RMM: 5 -0.697270973264E+03 -0.15008E-04 -0.17655E-04120507 0.281E-02 0.148E-02
RMM: 6 -0.697270975806E+03 -0.25417E-05 -0.31286E-05 84108 0.124E-02
182 F= -.69727098E+03 E0= -.69727722E+03 d E =-.369228E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697271046131E+03 -0.72867E-04 -0.10399E-01119940 0.773E-01 0.718E-02
RMM: 2 -0.697271158326E+03 -0.11220E-03 -0.16729E-03113880 0.951E-02 0.422E-02
RMM: 3 -0.697271163374E+03 -0.50478E-05 -0.21877E-04113934 0.361E-02 0.191E-02
RMM: 4 -0.697271166766E+03 -0.33923E-05 -0.53478E-05100329 0.160E-02
183 F= -.69727117E+03 E0= -.69727741E+03 d E =-.388324E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697272846241E+03 -0.16829E-02 -0.15112E+00113904 0.295E+00 0.275E-01
RMM: 2 -0.697274585311E+03 -0.17391E-02 -0.24890E-02113880 0.366E-01 0.162E-01
RMM: 3 -0.697274657254E+03 -0.71943E-04 -0.30599E-03113902 0.136E-01 0.764E-02
RMM: 4 -0.697274695400E+03 -0.38146E-04 -0.74375E-04115641 0.607E-02 0.244E-02
RMM: 5 -0.697274708328E+03 -0.12928E-04 -0.15163E-04120453 0.254E-02 0.137E-02
RMM: 6 -0.697274710135E+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 -0.697274843377E+03 -0.13505E-03 -0.30984E-01114216 0.133E+00 0.124E-01
RMM: 2 -0.697275199447E+03 -0.35607E-03 -0.51132E-03113880 0.166E-01 0.730E-02
RMM: 3 -0.697275213921E+03 -0.14474E-04 -0.63024E-04113904 0.618E-02 0.346E-02
RMM: 4 -0.697275221746E+03 -0.78246E-05 -0.15373E-04115690 0.276E-02 0.111E-02
RMM: 5 -0.697275224240E+03 -0.24943E-05 -0.29503E-05 78683 0.115E-02
185 F= -.69727522E+03 E0= -.69728132E+03 d E =-.405747E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697276645880E+03 -0.14241E-02 -0.18811E+00113892 0.328E+00 0.308E-01
RMM: 2 -0.697278827961E+03 -0.21821E-02 -0.31755E-02113880 0.413E-01 0.176E-01
RMM: 3 -0.697278940661E+03 -0.11270E-03 -0.39350E-03114278 0.154E-01 0.816E-02
RMM: 4 -0.697278991518E+03 -0.50857E-04 -0.91814E-04115236 0.679E-02 0.236E-02
RMM: 5 -0.697279006833E+03 -0.15315E-04 -0.18635E-04121341 0.286E-02 0.139E-02
RMM: 6 -0.697279009151E+03 -0.23186E-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 -0.697279092838E+03 -0.86005E-04 -0.23613E-01116262 0.116E+00 0.109E-01
RMM: 2 -0.697279368427E+03 -0.27559E-03 -0.40015E-03113880 0.147E-01 0.623E-02
RMM: 3 -0.697279382846E+03 -0.14419E-04 -0.49756E-04114301 0.547E-02 0.291E-02
RMM: 4 -0.697279389391E+03 -0.65454E-05 -0.11656E-04114900 0.241E-02 0.842E-03
RMM: 5 -0.697279391163E+03 -0.17723E-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 -0.697280702153E+03 -0.13128E-02 -0.18874E+00113892 0.328E+00 0.305E-01
RMM: 2 -0.697282764410E+03 -0.20623E-02 -0.30546E-02113880 0.407E-01 0.180E-01
RMM: 3 -0.697282854224E+03 -0.89814E-04 -0.37504E-03113880 0.151E-01 0.877E-02
RMM: 4 -0.697282900145E+03 -0.45921E-04 -0.91701E-04115182 0.678E-02 0.270E-02
RMM: 5 -0.697282917048E+03 -0.16903E-04 -0.19178E-04121607 0.289E-02 0.153E-02
RMM: 6 -0.697282919277E+03 -0.22289E-05 -0.30887E-05 83335 0.126E-02
188 F= -.69728292E+03 E0= -.69728921E+03 d E =-.352811E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697283003845E+03 -0.86797E-04 -0.25924E-01115050 0.122E+00 0.113E-01
RMM: 2 -0.697283288047E+03 -0.28420E-03 -0.42115E-03113880 0.151E-01 0.668E-02
RMM: 3 -0.697283300437E+03 -0.12390E-04 -0.51963E-04113881 0.563E-02 0.326E-02
RMM: 4 -0.697283306936E+03 -0.64992E-05 -0.12787E-04115128 0.252E-02 0.101E-02
RMM: 5 -0.697283309095E+03 -0.21584E-05 -0.24771E-05 76584 0.107E-02
189 F= -.69728331E+03 E0= -.69728962E+03 d E =-.391793E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697283827854E+03 -0.52092E-03 -0.21597E+00113892 0.350E+00 0.325E-01
RMM: 2 -0.697286323890E+03 -0.24960E-02 -0.36049E-02113880 0.442E-01 0.187E-01
RMM: 3 -0.697286432802E+03 -0.10891E-03 -0.45094E-03114787 0.164E-01 0.876E-02
RMM: 4 -0.697286483332E+03 -0.50530E-04 -0.10249E-03115546 0.721E-02 0.252E-02
RMM: 5 -0.697286500154E+03 -0.16821E-04 -0.19946E-04120789 0.301E-02 0.143E-02
RMM: 6 -0.697286502677E+03 -0.25237E-05 -0.32853E-05 84543 0.130E-02
190 F= -.69728650E+03 E0= -.69729279E+03 d E =-.319358E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697286534712E+03 -0.34558E-04 -0.80138E-02121434 0.675E-01 0.625E-02
RMM: 2 -0.697286628336E+03 -0.93624E-04 -0.13519E-03113880 0.855E-02 0.361E-02
RMM: 3 -0.697286632676E+03 -0.43401E-05 -0.17189E-04115043 0.319E-02 0.170E-02
RMM: 4 -0.697286634615E+03 -0.19394E-05 -0.38727E-05 85920 0.140E-02
191 F= -.69728663E+03 E0= -.69729291E+03 d E =-.332552E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697287434792E+03 -0.80212E-03 -0.18602E+00113892 0.324E+00 0.301E-01
RMM: 2 -0.697289468776E+03 -0.20340E-02 -0.30227E-02113880 0.405E-01 0.176E-01
RMM: 3 -0.697289549535E+03 -0.80759E-04 -0.37562E-03114292 0.151E-01 0.835E-02
RMM: 4 -0.697289595978E+03 -0.46444E-04 -0.88553E-04115041 0.669E-02 0.248E-02
RMM: 5 -0.697289611679E+03 -0.15701E-04 -0.18062E-04121055 0.283E-02 0.139E-02
RMM: 6 -0.697289613922E+03 -0.22429E-05 -0.29467E-05 81369 0.123E-02
192 F= -.69728961E+03 E0= -.69729600E+03 d E =-.297931E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697289646147E+03 -0.34468E-04 -0.25020E-01114504 0.119E+00 0.110E-01
RMM: 2 -0.697289920154E+03 -0.27401E-03 -0.40854E-03113880 0.149E-01 0.643E-02
RMM: 3 -0.697289931024E+03 -0.10870E-04 -0.51030E-04114338 0.556E-02 0.306E-02
RMM: 4 -0.697289937269E+03 -0.62450E-05 -0.12031E-04114524 0.246E-02 0.912E-03
RMM: 5 -0.697289939260E+03 -0.19913E-05 -0.22997E-05 76496 0.104E-02
193 F= -.69728994E+03 E0= -.69729636E+03 d E =-.330464E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697290810258E+03 -0.87299E-03 -0.17441E+00113886 0.314E+00 0.291E-01
RMM: 2 -0.697292705524E+03 -0.18953E-02 -0.28331E-02113880 0.392E-01 0.173E-01
RMM: 3 -0.697292770055E+03 -0.64531E-04 -0.34609E-03113924 0.146E-01 0.851E-02
RMM: 4 -0.697292808831E+03 -0.38776E-04 -0.85333E-04114870 0.655E-02 0.256E-02
RMM: 5 -0.697292824536E+03 -0.15705E-04 -0.18044E-04121676 0.279E-02 0.147E-02
RMM: 6 -0.697292826474E+03 -0.19388E-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 -0.697292879654E+03 -0.55118E-04 -0.14098E-01118536 0.893E-01 0.827E-02
RMM: 2 -0.697293033972E+03 -0.15432E-03 -0.23065E-03113880 0.112E-01 0.492E-02
RMM: 3 -0.697293039248E+03 -0.52755E-05 -0.28351E-04113959 0.416E-02 0.244E-02
RMM: 4 -0.697293042470E+03 -0.32220E-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 -0.697293527736E+03 -0.48849E-03 -0.19331E+00113886 0.330E+00 0.308E-01
RMM: 2 -0.697295702541E+03 -0.21748E-02 -0.32127E-02113880 0.415E-01 0.176E-01
RMM: 3 -0.697295814371E+03 -0.11183E-03 -0.40233E-03114941 0.154E-01 0.837E-02
RMM: 4 -0.697295859777E+03 -0.45406E-04 -0.89422E-04115116 0.673E-02 0.231E-02
RMM: 5 -0.697295874706E+03 -0.14929E-04 -0.17626E-04120435 0.281E-02 0.131E-02
RMM: 6 -0.697295877001E+03 -0.22941E-05 -0.28574E-05 80798 0.121E-02
196 F= -.69729588E+03 E0= -.69730232E+03 d E =-.283453E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697295910271E+03 -0.35565E-04 -0.19155E-01115350 0.104E+00 0.966E-02
RMM: 2 -0.697296124796E+03 -0.21452E-03 -0.31908E-03113880 0.131E-01 0.550E-02
RMM: 3 -0.697296135781E+03 -0.10985E-04 -0.40278E-04115083 0.487E-02 0.263E-02
RMM: 4 -0.697296140235E+03 -0.44544E-05 -0.88925E-05111724 0.212E-02
197 F= -.69729614E+03 E0= -.69730260E+03 d E =-.309777E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697296583853E+03 -0.44807E-03 -0.20529E+00113880 0.340E+00 0.313E-01
RMM: 2 -0.697298879602E+03 -0.22957E-02 -0.33759E-02113880 0.424E-01 0.186E-01
RMM: 3 -0.697298966050E+03 -0.86449E-04 -0.40933E-03113889 0.157E-01 0.913E-02
RMM: 4 -0.697299014450E+03 -0.48400E-04 -0.10050E-03114546 0.708E-02 0.271E-02
RMM: 5 -0.697299033751E+03 -0.19301E-04 -0.21438E-04122280 0.303E-02 0.158E-02
RMM: 6 -0.697299036115E+03 -0.23637E-05 -0.33287E-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 -0.697299069422E+03 -0.35671E-04 -0.17214E-01117006 0.986E-01 0.904E-02
RMM: 2 -0.697299262448E+03 -0.19303E-03 -0.28521E-03113880 0.123E-01 0.538E-02
RMM: 3 -0.697299269545E+03 -0.70966E-05 -0.34754E-04113892 0.458E-02 0.265E-02
RMM: 4 -0.697299273560E+03 -0.40152E-05 -0.85921E-05111814 0.206E-02
199 F= -.69729927E+03 E0= -.69730593E+03 d E =-.313333E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697300018638E+03 -0.74909E-03 -0.15387E+00113880 0.295E+00 0.272E-01
RMM: 2 -0.697301833667E+03 -0.18150E-02 -0.25847E-02113880 0.371E-01 0.158E-01
RMM: 3 -0.697301932144E+03 -0.98477E-04 -0.31701E-03114658 0.137E-01 0.761E-02
RMM: 4 -0.697301970791E+03 -0.38648E-04 -0.73288E-04115549 0.604E-02 0.218E-02
RMM: 5 -0.697301983420E+03 -0.12629E-04 -0.14300E-04120219 0.252E-02 0.125E-02
RMM: 6 -0.697301985110E+03 -0.16902E-05 -0.23024E-05 75658 0.109E-02
200 F= -.69730199E+03 E0= -.69730862E+03 d E =-.271155E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697302055669E+03 -0.72249E-04 -0.47054E-01113946 0.163E+00 0.150E-01
RMM: 2 -0.697302606744E+03 -0.55107E-03 -0.79000E-03113880 0.205E-01 0.869E-02
RMM: 3 -0.697302635622E+03 -0.28879E-04 -0.96910E-04114670 0.758E-02 0.419E-02
RMM: 4 -0.697302647028E+03 -0.11405E-04 -0.22427E-04115536 0.334E-02 0.120E-02
RMM: 5 -0.697302650740E+03 -0.37128E-05 -0.42590E-05 84582 0.140E-02
201 F= -.69730265E+03 E0= -.69730928E+03 d E =-.337718E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697302609895E+03 0.37133E-04 -0.11553E-01118914 0.808E-01 0.743E-02
RMM: 2 -0.697302746454E+03 -0.13656E-03 -0.19534E-03113880 0.102E-01 0.430E-02
RMM: 3 -0.697302754487E+03 -0.80337E-05 -0.24521E-04114745 0.381E-02 0.207E-02
RMM: 4 -0.697302757533E+03 -0.30456E-05 -0.56855E-05100557 0.168E-02
202 F= -.69730276E+03 E0= -.69730938E+03 d E =-.348397E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697303189960E+03 -0.43547E-03 -0.16066E+00113880 0.301E+00 0.279E-01
RMM: 2 -0.697305064567E+03 -0.18746E-02 -0.26997E-02113880 0.377E-01 0.160E-01
RMM: 3 -0.697305183518E+03 -0.11895E-03 -0.33265E-03114489 0.140E-01 0.772E-02
RMM: 4 -0.697305227822E+03 -0.44304E-04 -0.77212E-04115028 0.617E-02 0.220E-02
RMM: 5 -0.697305241427E+03 -0.13605E-04 -0.15621E-04121217 0.262E-02 0.127E-02
RMM: 6 -0.697305243264E+03 -0.18379E-05 -0.25024E-05 77740 0.112E-02
203 F= -.69730524E+03 E0= -.69731190E+03 d E =-.248573E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697305240573E+03 0.85315E-06 -0.49422E-01113940 0.167E+00 0.154E-01
RMM: 2 -0.697305815577E+03 -0.57500E-03 -0.83203E-03113880 0.209E-01 0.883E-02
RMM: 3 -0.697305851552E+03 -0.35975E-04 -0.10267E-03114516 0.777E-02 0.427E-02
RMM: 4 -0.697305864923E+03 -0.13371E-04 -0.23834E-04115065 0.343E-02 0.122E-02
RMM: 5 -0.697305868977E+03 -0.40535E-05 -0.46864E-05 87730 0.145E-02
204 F= -.69730587E+03 E0= -.69731254E+03 d E =-.311144E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697303002413E+03 0.28625E-02 -0.19764E+00113880 0.334E+00 0.309E-01
RMM: 2 -0.697305299398E+03 -0.22970E-02 -0.33219E-02113880 0.419E-01 0.177E-01
RMM: 3 -0.697305446589E+03 -0.14719E-03 -0.41087E-03114498 0.155E-01 0.853E-02
RMM: 4 -0.697305500547E+03 -0.53958E-04 -0.95182E-04114951 0.686E-02 0.245E-02
RMM: 5 -0.697305517492E+03 -0.16945E-04 -0.19385E-04122077 0.292E-02 0.141E-02
RMM: 6 -0.697305519810E+03 -0.23175E-05 -0.31355E-05 83182 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 -0.697304676307E+03 0.84119E-03 -0.10333E+00113880 0.242E+00 0.223E-01
RMM: 2 -0.697305872940E+03 -0.11966E-02 -0.17290E-02113880 0.302E-01 0.128E-01
RMM: 3 -0.697305946574E+03 -0.73635E-04 -0.21128E-03114472 0.112E-01 0.613E-02
RMM: 4 -0.697305973731E+03 -0.27157E-04 -0.48551E-04114678 0.492E-02 0.173E-02
RMM: 5 -0.697305982503E+03 -0.87720E-05 -0.99722E-05113113 0.210E-02
206 F= -.69730598E+03 E0= -.69731266E+03 d E =-.322497E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697306445818E+03 -0.47209E-03 -0.15772E+00113880 0.300E+00 0.279E-01
RMM: 2 -0.697308289851E+03 -0.18440E-02 -0.26694E-02113880 0.375E-01 0.163E-01
RMM: 3 -0.697308392957E+03 -0.10311E-03 -0.31849E-03113882 0.138E-01 0.833E-02
RMM: 4 -0.697308430317E+03 -0.37361E-04 -0.79001E-04114669 0.622E-02 0.246E-02
RMM: 5 -0.697308445872E+03 -0.15555E-04 -0.17125E-04122464 0.268E-02 0.139E-02
RMM: 6 -0.697308447408E+03 -0.15354E-05 -0.26344E-05 78849 0.116E-02
207 F= -.69730845E+03 E0= -.69731523E+03 d E =-.246490E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697308226425E+03 0.21945E-03 -0.54690E-01113910 0.177E+00 0.164E-01
RMM: 2 -0.697308872099E+03 -0.64567E-03 -0.93344E-03113880 0.221E-01 0.962E-02
RMM: 3 -0.697308910234E+03 -0.38136E-04 -0.11282E-03113889 0.820E-02 0.493E-02
RMM: 4 -0.697308923979E+03 -0.13744E-04 -0.28152E-04114816 0.370E-02 0.145E-02
RMM: 5 -0.697308929289E+03 -0.53102E-05 -0.59658E-05 96742 0.160E-02
208 F= -.69730893E+03 E0= -.69731577E+03 d E =-.294679E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697309033802E+03 -0.10982E-03 -0.19470E+00113880 0.334E+00 0.316E-01
RMM: 2 -0.697311418962E+03 -0.23852E-02 -0.33824E-02113880 0.420E-01 0.177E-01
RMM: 3 -0.697311610623E+03 -0.19166E-03 -0.43640E-03115653 0.157E-01 0.883E-02
RMM: 4 -0.697311658946E+03 -0.48324E-04 -0.91440E-04115279 0.681E-02 0.257E-02
RMM: 5 -0.697311674907E+03 -0.15961E-04 -0.18230E-04121462 0.290E-02 0.135E-02
RMM: 6 -0.697311677145E+03 -0.22375E-05 -0.31694E-05 83129 0.124E-02
209 F= -.69731168E+03 E0= -.69731850E+03 d E =-.274786E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697311649520E+03 0.25387E-04 -0.34469E-01115134 0.140E+00 0.133E-01
RMM: 2 -0.697312072967E+03 -0.42345E-03 -0.60120E-03113880 0.177E-01 0.744E-02
RMM: 3 -0.697312106857E+03 -0.33890E-04 -0.77848E-04115782 0.660E-02 0.373E-02
RMM: 4 -0.697312115238E+03 -0.83816E-05 -0.16178E-04115011 0.286E-02 0.109E-02
RMM: 5 -0.697312117876E+03 -0.26377E-05 -0.30734E-05 79120 0.121E-02
210 F= -.69731212E+03 E0= -.69731894E+03 d E =-.318859E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697312858195E+03 -0.74296E-03 -0.15503E+00113880 0.299E+00 0.285E-01
RMM: 2 -0.697314719874E+03 -0.18617E-02 -0.26828E-02113880 0.374E-01 0.165E-01
RMM: 3 -0.697314847477E+03 -0.12760E-03 -0.33843E-03114239 0.140E-01 0.859E-02
RMM: 4 -0.697314890083E+03 -0.42606E-04 -0.83767E-04114752 0.638E-02 0.258E-02
RMM: 5 -0.697314905909E+03 -0.15825E-04 -0.18514E-04123235 0.280E-02 0.140E-02
RMM: 6 -0.697314907430E+03 -0.15214E-05 -0.29169E-05 81293 0.119E-02
211 F= -.69731491E+03 E0= -.69732172E+03 d E =-.278955E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697314969907E+03 -0.63998E-04 -0.27863E-01115254 0.127E+00 0.121E-01
RMM: 2 -0.697315305925E+03 -0.33602E-03 -0.48401E-03113880 0.159E-01 0.701E-02
RMM: 3 -0.697315328735E+03 -0.22810E-04 -0.61085E-04114277 0.595E-02 0.366E-02
RMM: 4 -0.697315336314E+03 -0.75788E-05 -0.15112E-04114295 0.271E-02 0.110E-02
RMM: 5 -0.697315338861E+03 -0.25474E-05 -0.31194E-05 79307 0.118E-02
212 F= -.69731534E+03 E0= -.69732215E+03 d E =-.322099E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697316461898E+03 -0.11256E-02 -0.10126E+00113880 0.242E+00 0.231E-01
RMM: 2 -0.697317657197E+03 -0.11953E-02 -0.17121E-02113880 0.299E-01 0.131E-01
RMM: 3 -0.697317762876E+03 -0.10568E-03 -0.22168E-03115114 0.112E-01 0.680E-02
RMM: 4 -0.697317792519E+03 -0.29643E-04 -0.50586E-04115142 0.500E-02 0.204E-02
RMM: 5 -0.697317801714E+03 -0.91946E-05 -0.10597E-04116864 0.218E-02 0.105E-02
RMM: 6 -0.697317802725E+03 -0.10115E-05 -0.17975E-05 72254 0.942E-03
213 F= -.69731780E+03 E0= -.69732463E+03 d E =-.246386E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697317987958E+03 -0.18624E-03 -0.93866E-01113880 0.233E+00 0.223E-01
RMM: 2 -0.697319093965E+03 -0.11060E-02 -0.15873E-02113880 0.288E-01 0.126E-01
RMM: 3 -0.697319189704E+03 -0.95739E-04 -0.20458E-03115087 0.108E-01 0.656E-02
RMM: 4 -0.697319216744E+03 -0.27040E-04 -0.46821E-04115270 0.480E-02 0.197E-02
RMM: 5 -0.697319225100E+03 -0.83557E-05 -0.96732E-05114557 0.208E-02
214 F= -.69731923E+03 E0= -.69732607E+03 d E =-.388624E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697314292879E+03 0.49239E-02 -0.37553E+00113880 0.466E+00 0.446E-01
RMM: 2 -0.697318716630E+03 -0.44238E-02 -0.63401E-02113880 0.575E-01 0.252E-01
RMM: 3 -0.697319104834E+03 -0.38820E-03 -0.82012E-03115100 0.216E-01 0.131E-01
RMM: 4 -0.697319214355E+03 -0.10952E-03 -0.18700E-03115121 0.961E-02 0.394E-02
RMM: 5 -0.697319248976E+03 -0.34621E-04 -0.39449E-04123711 0.420E-02 0.205E-02
RMM: 6 -0.697319252864E+03 -0.38877E-05 -0.65917E-05102470 0.178E-02
215 F= -.69731925E+03 E0= -.69732612E+03 d E =-.391400E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697318143428E+03 0.11055E-02 -0.11851E+00113880 0.262E+00 0.251E-01
RMM: 2 -0.697319531548E+03 -0.13881E-02 -0.19946E-02113880 0.322E-01 0.142E-01
RMM: 3 -0.697319651136E+03 -0.11959E-03 -0.25531E-03115054 0.120E-01 0.735E-02
RMM: 4 -0.697319684625E+03 -0.33489E-04 -0.57809E-04114793 0.536E-02 0.219E-02
RMM: 5 -0.697319695871E+03 -0.11246E-04 -0.12411E-04119763 0.235E-02 0.114E-02
RMM: 6 -0.697319697276E+03 -0.14052E-05 -0.20617E-05 74081 0.101E-02
216 F= -.69731970E+03 E0= -.69732655E+03 d E =-.435841E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697320100700E+03 -0.40483E-03 -0.13174E+00113880 0.276E+00 0.267E-01
RMM: 2 -0.697321686639E+03 -0.15859E-02 -0.22680E-02113880 0.343E-01 0.147E-01
RMM: 3 -0.697321843872E+03 -0.15723E-03 -0.29940E-03115794 0.128E-01 0.764E-02
RMM: 4 -0.697321878221E+03 -0.34349E-04 -0.62090E-04114925 0.560E-02 0.225E-02
RMM: 5 -0.697321889619E+03 -0.11398E-04 -0.12956E-04119595 0.244E-02 0.112E-02
RMM: 6 -0.697321891082E+03 -0.14630E-05 -0.23049E-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 -0.697320514028E+03 0.13756E-02 -0.18037E+00113880 0.323E+00 0.312E-01
RMM: 2 -0.697322694789E+03 -0.21808E-02 -0.31195E-02113880 0.402E-01 0.172E-01
RMM: 3 -0.697322912790E+03 -0.21800E-03 -0.41451E-03115883 0.151E-01 0.896E-02
RMM: 4 -0.697322960107E+03 -0.47316E-04 -0.85664E-04114973 0.657E-02 0.265E-02
RMM: 5 -0.697322975948E+03 -0.15842E-04 -0.18021E-04122420 0.286E-02 0.133E-02
RMM: 6 -0.697322977888E+03 -0.19398E-05 -0.31063E-05 81859 0.120E-02
218 F= -.69732298E+03 E0= -.69732987E+03 d E =-.328061E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697323861652E+03 -0.88570E-03 -0.10396E+00113886 0.246E+00 0.236E-01
RMM: 2 -0.697325080950E+03 -0.12193E-02 -0.17856E-02113880 0.305E-01 0.136E-01
RMM: 3 -0.697325174146E+03 -0.93196E-04 -0.22596E-03114001 0.115E-01 0.730E-02
RMM: 4 -0.697325203252E+03 -0.29107E-04 -0.57560E-04115046 0.525E-02 0.220E-02
RMM: 5 -0.697325214512E+03 -0.11259E-04 -0.12790E-04119521 0.232E-02 0.114E-02
RMM: 6 -0.697325215515E+03 -0.10035E-05 -0.19733E-05 73293 0.983E-03
219 F= -.69732522E+03 E0= -.69733212E+03 d E =-.223763E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697325318773E+03 -0.10426E-03 -0.46825E-01114510 0.165E+00 0.159E-01
RMM: 2 -0.697325869679E+03 -0.55091E-03 -0.80535E-03113880 0.205E-01 0.916E-02
RMM: 3 -0.697325911806E+03 -0.42126E-04 -0.10198E-03114033 0.770E-02 0.491E-02
RMM: 4 -0.697325924950E+03 -0.13144E-04 -0.25933E-04115071 0.352E-02 0.148E-02
RMM: 5 -0.697325929851E+03 -0.49012E-05 -0.56287E-05 95383 0.155E-02
220 F= -.69732593E+03 E0= -.69733284E+03 d E =-.295196E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697327221618E+03 -0.12967E-02 -0.92768E-01113916 0.232E+00 0.220E-01
RMM: 2 -0.697328354847E+03 -0.11332E-02 -0.16040E-02113880 0.290E-01 0.122E-01
RMM: 3 -0.697328462920E+03 -0.10807E-03 -0.21559E-03115944 0.109E-01 0.632E-02
RMM: 4 -0.697328486338E+03 -0.23419E-04 -0.44417E-04115637 0.475E-02 0.188E-02
RMM: 5 -0.697328494160E+03 -0.78215E-05 -0.88121E-05112594 0.203E-02
221 F= -.69732849E+03 E0= -.69733542E+03 d E =-.256431E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697328929203E+03 -0.44286E-03 -0.43456E-01114300 0.159E+00 0.151E-01
RMM: 2 -0.697329463848E+03 -0.53465E-03 -0.75472E-03113880 0.199E-01 0.840E-02
RMM: 3 -0.697329516340E+03 -0.52492E-04 -0.10247E-03116051 0.752E-02 0.434E-02
RMM: 4 -0.697329527642E+03 -0.11302E-04 -0.20920E-04115469 0.327E-02 0.129E-02
RMM: 5 -0.697329531320E+03 -0.36782E-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 -0.697327464887E+03 0.20628E-02 -0.17362E+00113880 0.317E+00 0.301E-01
RMM: 2 -0.697329585267E+03 -0.21204E-02 -0.30028E-02113880 0.396E-01 0.167E-01
RMM: 3 -0.697329787070E+03 -0.20180E-03 -0.40334E-03115966 0.149E-01 0.866E-02
RMM: 4 -0.697329830134E+03 -0.43065E-04 -0.82784E-04115618 0.648E-02 0.259E-02
RMM: 5 -0.697329844929E+03 -0.14795E-04 -0.16657E-04120525 0.278E-02 0.123E-02
RMM: 6 -0.697329847090E+03 -0.21610E-05 -0.30365E-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 -0.697329591111E+03 0.25382E-03 -0.30355E-01114348 0.133E+00 0.126E-01
RMM: 2 -0.697329959140E+03 -0.36803E-03 -0.52143E-03113880 0.165E-01 0.700E-02
RMM: 3 -0.697329992776E+03 -0.33636E-04 -0.68970E-04115859 0.619E-02 0.361E-02
RMM: 4 -0.697329999569E+03 -0.67929E-05 -0.14041E-04114352 0.268E-02 0.107E-02
RMM: 5 -0.697330002010E+03 -0.24415E-05 -0.27956E-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 -0.697330900770E+03 -0.90120E-03 -0.27471E-01114441 0.126E+00 0.119E-01
RMM: 2 -0.697331210242E+03 -0.30947E-03 -0.44827E-03113880 0.153E-01 0.666E-02
RMM: 3 -0.697331237040E+03 -0.26799E-04 -0.57429E-04114749 0.573E-02 0.347E-02
RMM: 4 -0.697331244190E+03 -0.71498E-05 -0.13313E-04114575 0.254E-02 0.103E-02
RMM: 5 -0.697331246502E+03 -0.23123E-05 -0.25866E-05 76358 0.110E-02
225 F= -.69733125E+03 E0= -.69733819E+03 d E =-.124449E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697330878199E+03 0.36599E-03 -0.24783E+00113880 0.378E+00 0.356E-01
RMM: 2 -0.697333706123E+03 -0.28279E-02 -0.40718E-02113880 0.462E-01 0.201E-01
RMM: 3 -0.697333965053E+03 -0.25893E-03 -0.53295E-03114859 0.174E-01 0.105E-01
RMM: 4 -0.697334034367E+03 -0.69314E-04 -0.12385E-03115377 0.776E-02 0.312E-02
RMM: 5 -0.697334057534E+03 -0.23168E-04 -0.25771E-04123230 0.338E-02 0.161E-02
RMM: 6 -0.697334060191E+03 -0.26570E-05 -0.42559E-05 90884 0.143E-02
226 F= -.69733406E+03 E0= -.69734105E+03 d E =-.405818E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697323056749E+03 0.11001E-01 -0.99113E+00113880 0.756E+00 0.713E-01
RMM: 2 -0.697334356175E+03 -0.11299E-01 -0.16291E-01113880 0.924E-01 0.401E-01
RMM: 3 -0.697335371971E+03 -0.10158E-02 -0.21222E-02114873 0.348E-01 0.210E-01
RMM: 4 -0.697335638966E+03 -0.26700E-03 -0.49159E-03115273 0.155E-01 0.630E-02
RMM: 5 -0.697335731394E+03 -0.92427E-04 -0.10232E-03123316 0.674E-02 0.322E-02
RMM: 6 -0.697335742503E+03 -0.11110E-04 -0.17341E-04115343 0.286E-02 0.119E-02
RMM: 7 -0.697335745782E+03 -0.32784E-05 -0.36189E-05 85990 0.125E-02
227 F= -.69733575E+03 E0= -.69734283E+03 d E =-.574377E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697336504072E+03 -0.76157E-03 -0.16597E+00113886 0.309E+00 0.290E-01
RMM: 2 -0.697338326801E+03 -0.18227E-02 -0.26875E-02113880 0.376E-01 0.168E-01
RMM: 3 -0.697338458034E+03 -0.13123E-03 -0.34823E-03114144 0.142E-01 0.872E-02
RMM: 4 -0.697338504990E+03 -0.46956E-04 -0.89254E-04115311 0.651E-02 0.259E-02
RMM: 5 -0.697338520935E+03 -0.15945E-04 -0.18647E-04122416 0.284E-02 0.140E-02
RMM: 6 -0.697338522774E+03 -0.18387E-05 -0.31212E-05 82768 0.123E-02
228 F= -.69733852E+03 E0= -.69734566E+03 d E =-.277699E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697338474941E+03 0.45994E-04 -0.85202E-01114282 0.221E+00 0.208E-01
RMM: 2 -0.697339412342E+03 -0.93740E-03 -0.13828E-02113880 0.270E-01 0.121E-01
RMM: 3 -0.697339480374E+03 -0.68031E-04 -0.17958E-03114186 0.102E-01 0.626E-02
RMM: 4 -0.697339504479E+03 -0.24105E-04 -0.45894E-04115369 0.466E-02 0.186E-02
RMM: 5 -0.697339512539E+03 -0.80599E-05 -0.95110E-05113764 0.203E-02
229 F= -.69733951E+03 E0= -.69734669E+03 d E =-.376676E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697339446034E+03 0.58445E-04 -0.19251E-01119616 0.105E+00 0.987E-02
RMM: 2 -0.697339660418E+03 -0.21438E-03 -0.31412E-03113880 0.129E-01 0.575E-02
RMM: 3 -0.697339677767E+03 -0.17349E-04 -0.41834E-04114286 0.492E-02 0.298E-02
RMM: 4 -0.697339683710E+03 -0.59430E-05 -0.10585E-04113693 0.225E-02 0.879E-03
RMM: 5 -0.697339685379E+03 -0.16688E-05 -0.20443E-05 73731 0.985E-03
230 F= -.69733969E+03 E0= -.69734688E+03 d E =-.393960E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697341652241E+03 -0.19685E-02 -0.10098E+00113952 0.240E+00 0.226E-01
RMM: 2 -0.697342795767E+03 -0.11435E-02 -0.16608E-02113880 0.296E-01 0.128E-01
RMM: 3 -0.697342879737E+03 -0.83970E-04 -0.23181E-03115664 0.113E-01 0.623E-02
RMM: 4 -0.697342905498E+03 -0.25761E-04 -0.49677E-04116375 0.493E-02 0.196E-02
RMM: 5 -0.697342912476E+03 -0.69785E-05 -0.90086E-05113054 0.208E-02
231 F= -.69734291E+03 E0= -.69735018E+03 d E =-.322710E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697343512530E+03 -0.60703E-03 -0.57496E-01114018 0.181E+00 0.171E-01
RMM: 2 -0.697344167765E+03 -0.65524E-03 -0.95044E-03113880 0.224E-01 0.972E-02
RMM: 3 -0.697344217144E+03 -0.49379E-04 -0.13374E-03115684 0.856E-02 0.471E-02
RMM: 4 -0.697344232275E+03 -0.15131E-04 -0.28597E-04116250 0.375E-02 0.148E-02
RMM: 5 -0.697344236240E+03 -0.39652E-05 -0.51597E-05 94142 0.159E-02
232 F= -.69734424E+03 E0= -.69735155E+03 d E =-.455086E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697341113534E+03 0.31187E-02 -0.22975E+00113880 0.362E+00 0.342E-01
RMM: 2 -0.697343716863E+03 -0.26033E-02 -0.37817E-02113880 0.446E-01 0.194E-01
RMM: 3 -0.697343908651E+03 -0.19179E-03 -0.52684E-03115624 0.170E-01 0.942E-02
RMM: 4 -0.697343967554E+03 -0.58903E-04 -0.11292E-03116262 0.744E-02 0.295E-02
RMM: 5 -0.697343983744E+03 -0.16190E-04 -0.20780E-04120216 0.314E-02 0.146E-02
RMM: 6 -0.697343986897E+03 -0.31535E-05 -0.41398E-05 88298 0.138E-02
233 F= -.69734399E+03 E0= -.69735139E+03 d E =-.430152E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697343562233E+03 0.42151E-03 -0.83530E-01113892 0.218E+00 0.206E-01
RMM: 2 -0.697344505326E+03 -0.94309E-03 -0.13684E-02113880 0.268E-01 0.117E-01
RMM: 3 -0.697344573497E+03 -0.68171E-04 -0.18807E-03115553 0.102E-01 0.565E-02
RMM: 4 -0.697344594329E+03 -0.20832E-04 -0.40041E-04115733 0.445E-02 0.175E-02
RMM: 5 -0.697344600289E+03 -0.59598E-05 -0.75165E-05106060 0.189E-02
234 F= -.69734460E+03 E0= -.69735195E+03 d E =-.491491E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697346670443E+03 -0.20761E-02 -0.80688E-01113892 0.214E+00 0.199E-01
RMM: 2 -0.697347472771E+03 -0.80233E-03 -0.12146E-02113880 0.254E-01 0.117E-01
RMM: 3 -0.697347515940E+03 -0.43168E-04 -0.16087E-03113929 0.967E-02 0.576E-02
RMM: 4 -0.697347538273E+03 -0.22333E-04 -0.41825E-04115787 0.441E-02 0.180E-02
RMM: 5 -0.697347544958E+03 -0.66856E-05 -0.82548E-05108084 0.189E-02
235 F= -.69734754E+03 E0= -.69735491E+03 d E =-.294467E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697346707422E+03 0.83085E-03 -0.40439E+00113880 0.479E+00 0.446E-01
RMM: 2 -0.697350764105E+03 -0.40567E-02 -0.61223E-02113880 0.572E-01 0.263E-01
RMM: 3 -0.697351000061E+03 -0.23596E-03 -0.82407E-03113963 0.219E-01 0.129E-01
RMM: 4 -0.697351121746E+03 -0.12169E-03 -0.21484E-03115982 0.100E-01 0.405E-02
RMM: 5 -0.697351156615E+03 -0.34868E-04 -0.42541E-04122249 0.432E-02 0.224E-02
RMM: 6 -0.697351161243E+03 -0.46283E-05 -0.73092E-05104836 0.186E-02
236 F= -.69735116E+03 E0= -.69735856E+03 d E =-.656095E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697351003039E+03 0.15358E-03 -0.40216E-01115926 0.151E+00 0.140E-01
RMM: 2 -0.697351409040E+03 -0.40600E-03 -0.61221E-03113880 0.181E-01 0.830E-02
RMM: 3 -0.697351432368E+03 -0.23328E-04 -0.82684E-04113977 0.693E-02 0.409E-02
RMM: 4 -0.697351444526E+03 -0.12159E-04 -0.21696E-04115941 0.317E-02 0.129E-02
RMM: 5 -0.697351447705E+03 -0.31791E-05 -0.40813E-05 86244 0.136E-02
237 F= -.69735145E+03 E0= -.69735886E+03 d E =-.684742E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697353442890E+03 -0.19984E-02 -0.19306E+00113880 0.332E+00 0.310E-01
RMM: 2 -0.697355451520E+03 -0.20086E-02 -0.29809E-02113880 0.400E-01 0.179E-01
RMM: 3 -0.697355586213E+03 -0.13469E-03 -0.40923E-03114871 0.153E-01 0.865E-02
RMM: 4 -0.697355642321E+03 -0.56108E-04 -0.97302E-04116607 0.681E-02 0.270E-02
RMM: 5 -0.697355657155E+03 -0.14834E-04 -0.17768E-04120365 0.289E-02 0.140E-02
RMM: 6 -0.697355659825E+03 -0.26696E-05 -0.33438E-05 84511 0.126E-02
238 F= -.69735566E+03 E0= -.69736307E+03 d E =-.421212E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697355973248E+03 -0.31609E-03 -0.15396E+00113886 0.296E+00 0.277E-01
RMM: 2 -0.697357575514E+03 -0.16023E-02 -0.23783E-02113880 0.357E-01 0.160E-01
RMM: 3 -0.697357681470E+03 -0.10596E-03 -0.32581E-03114874 0.137E-01 0.774E-02
RMM: 4 -0.697357725806E+03 -0.44336E-04 -0.77504E-04116654 0.607E-02 0.242E-02
RMM: 5 -0.697357737566E+03 -0.11760E-04 -0.14076E-04119848 0.256E-02 0.126E-02
RMM: 6 -0.697357739687E+03 -0.21212E-05 -0.26473E-05 79394 0.112E-02
239 F= -.69735774E+03 E0= -.69736514E+03 d E =-.629198E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697350059237E+03 0.76783E-02 -0.61559E+00113880 0.592E+00 0.555E-01
RMM: 2 -0.697356468648E+03 -0.64094E-02 -0.95105E-02113880 0.714E-01 0.321E-01
RMM: 3 -0.697356898313E+03 -0.42967E-03 -0.13018E-02114861 0.273E-01 0.155E-01
RMM: 4 -0.697357073472E+03 -0.17516E-03 -0.30886E-03116603 0.121E-01 0.489E-02
RMM: 5 -0.697357120570E+03 -0.47097E-04 -0.56348E-04121653 0.513E-02 0.253E-02
RMM: 6 -0.697357128884E+03 -0.83149E-05 -0.10629E-04109163 0.224E-02 0.726E-03
RMM: 7 -0.697357130826E+03 -0.19417E-05 -0.22912E-05 77945 0.100E-02
240 F= -.69735713E+03 E0= -.69736453E+03 d E =-.568312E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697355505898E+03 0.16230E-02 -0.23886E+00113880 0.369E+00 0.345E-01
RMM: 2 -0.697357995049E+03 -0.24892E-02 -0.36821E-02113880 0.444E-01 0.200E-01
RMM: 3 -0.697358159734E+03 -0.16468E-03 -0.50091E-03114821 0.169E-01 0.961E-02
RMM: 4 -0.697358227227E+03 -0.67493E-04 -0.11873E-03116435 0.753E-02 0.297E-02
RMM: 5 -0.697358245183E+03 -0.17956E-04 -0.21948E-04121223 0.319E-02 0.156E-02
RMM: 6 -0.697358248069E+03 -0.28860E-05 -0.40160E-05 87598 0.139E-02
241 F= -.69735825E+03 E0= -.69736565E+03 d E =-.680036E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697360012330E+03 -0.17671E-02 -0.18781E+00113880 0.328E+00 0.306E-01
RMM: 2 -0.697362008538E+03 -0.19962E-02 -0.29331E-02113880 0.396E-01 0.178E-01
RMM: 3 -0.697362137422E+03 -0.12888E-03 -0.39493E-03114631 0.151E-01 0.873E-02
RMM: 4 -0.697362186311E+03 -0.48889E-04 -0.93330E-04115847 0.672E-02 0.273E-02
RMM: 5 -0.697362201881E+03 -0.15570E-04 -0.18426E-04121619 0.289E-02 0.145E-02
RMM: 6 -0.697362204165E+03 -0.22839E-05 -0.32013E-05 83777 0.125E-02
242 F= -.69736220E+03 E0= -.69736967E+03 d E =-.395610E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697360221234E+03 0.19806E-02 -0.37136E+00113880 0.461E+00 0.431E-01
RMM: 2 -0.697364193700E+03 -0.39725E-02 -0.58296E-02113880 0.559E-01 0.251E-01
RMM: 3 -0.697364451418E+03 -0.25772E-03 -0.78782E-03114682 0.213E-01 0.123E-01
RMM: 4 -0.697364549373E+03 -0.97954E-04 -0.18656E-03116050 0.949E-02 0.387E-02
RMM: 5 -0.697364580286E+03 -0.30913E-04 -0.36654E-04122659 0.407E-02 0.205E-02
RMM: 6 -0.697364584729E+03 -0.44429E-05 -0.62850E-05100876 0.174E-02
243 F= -.69736458E+03 E0= -.69737215E+03 d E =-.633666E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697367126028E+03 -0.25457E-02 -0.15472E+00113904 0.298E+00 0.279E-01
RMM: 2 -0.697368694589E+03 -0.15686E-02 -0.23837E-02113880 0.358E-01 0.164E-01
RMM: 3 -0.697368790242E+03 -0.95653E-04 -0.32308E-03114244 0.137E-01 0.807E-02
RMM: 4 -0.697368833756E+03 -0.43514E-04 -0.81898E-04116564 0.621E-02 0.248E-02
RMM: 5 -0.697368846571E+03 -0.12815E-04 -0.15460E-04121073 0.265E-02 0.134E-02
RMM: 6 -0.697368848546E+03 -0.19742E-05 -0.27535E-05 80384 0.115E-02
244 F= -.69736885E+03 E0= -.69737643E+03 d E =-.426382E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697369556555E+03 -0.70998E-03 -0.17791E+00113880 0.319E+00 0.299E-01
RMM: 2 -0.697371356764E+03 -0.18002E-02 -0.27356E-02113880 0.383E-01 0.176E-01
RMM: 3 -0.697371466974E+03 -0.11021E-03 -0.37092E-03114256 0.147E-01 0.864E-02
RMM: 4 -0.697371517029E+03 -0.50055E-04 -0.93856E-04116532 0.664E-02 0.266E-02
RMM: 5 -0.697371531755E+03 -0.14725E-04 -0.17746E-04121448 0.283E-02 0.144E-02
RMM: 6 -0.697371533998E+03 -0.22431E-05 -0.31363E-05 83002 0.123E-02
245 F= -.69737153E+03 E0= -.69737912E+03 d E =-.694927E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697363098231E+03 0.84335E-02 -0.71136E+00113880 0.638E+00 0.599E-01
RMM: 2 -0.697370304234E+03 -0.72060E-02 -0.10944E-01113880 0.766E-01 0.352E-01
RMM: 3 -0.697370749616E+03 -0.44538E-03 -0.14821E-02114261 0.293E-01 0.174E-01
RMM: 4 -0.697370946886E+03 -0.19727E-03 -0.37403E-03116480 0.133E-01 0.538E-02
RMM: 5 -0.697371005925E+03 -0.59038E-04 -0.70895E-04122179 0.567E-02 0.290E-02
RMM: 6 -0.697371014875E+03 -0.89507E-05 -0.12616E-04110159 0.246E-02 0.861E-03
RMM: 7 -0.697371017386E+03 -0.25104E-05 -0.28239E-05 80827 0.110E-02
246 F= -.69737102E+03 E0= -.69737863E+03 d E =-.643266E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697369563427E+03 0.14514E-02 -0.24391E+00113880 0.374E+00 0.350E-01
RMM: 2 -0.697372021594E+03 -0.24582E-02 -0.37289E-02113880 0.447E-01 0.206E-01
RMM: 3 -0.697372171752E+03 -0.15016E-03 -0.50317E-03114215 0.171E-01 0.101E-01
RMM: 4 -0.697372239356E+03 -0.67603E-04 -0.12708E-03116354 0.774E-02 0.306E-02
RMM: 5 -0.697372259284E+03 -0.19929E-04 -0.24293E-04122096 0.331E-02 0.167E-02
RMM: 6 -0.697372262078E+03 -0.27934E-05 -0.42105E-05 89391 0.143E-02
247 F= -.69737226E+03 E0= -.69737986E+03 d E =-.767735E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697374323173E+03 -0.20639E-02 -0.88973E-01114048 0.226E+00 0.211E-01
RMM: 2 -0.697375211152E+03 -0.88798E-03 -0.13397E-02113880 0.268E-01 0.122E-01
RMM: 3 -0.697375275018E+03 -0.63866E-04 -0.18733E-03115074 0.103E-01 0.579E-02
RMM: 4 -0.697375299343E+03 -0.24325E-04 -0.42736E-04116277 0.455E-02 0.178E-02
RMM: 5 -0.697375305853E+03 -0.65099E-05 -0.79345E-05108266 0.194E-02
248 F= -.69737531E+03 E0= -.69738290E+03 d E =-.304378E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697371774339E+03 0.35250E-02 -0.80179E+00113880 0.677E+00 0.635E-01
RMM: 2 -0.697379872320E+03 -0.80980E-02 -0.12182E-01113880 0.808E-01 0.367E-01
RMM: 3 -0.697380474625E+03 -0.60231E-03 -0.17178E-02115153 0.311E-01 0.176E-01
RMM: 4 -0.697380697383E+03 -0.22276E-03 -0.39082E-03116393 0.138E-01 0.548E-02
RMM: 5 -0.697380758115E+03 -0.60732E-04 -0.73913E-04122286 0.589E-02 0.290E-02
RMM: 6 -0.697380768126E+03 -0.10011E-04 -0.13641E-04109409 0.254E-02 0.954E-03
RMM: 7 -0.697380770838E+03 -0.27121E-05 -0.30009E-05 82399 0.115E-02
249 F= -.69738077E+03 E0= -.69738836E+03 d E =-.850876E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697379527780E+03 0.12403E-02 -0.16925E+00113880 0.311E+00 0.291E-01
RMM: 2 -0.697381233873E+03 -0.17061E-02 -0.25690E-02113880 0.371E-01 0.169E-01
RMM: 3 -0.697381358786E+03 -0.12491E-03 -0.36196E-03115154 0.143E-01 0.802E-02
RMM: 4 -0.697381406080E+03 -0.47294E-04 -0.82582E-04116414 0.632E-02 0.248E-02
RMM: 5 -0.697381418791E+03 -0.12711E-04 -0.15477E-04120261 0.270E-02 0.132E-02
RMM: 6 -0.697381420961E+03 -0.21703E-05 -0.28983E-05 81249 0.117E-02
250 F= -.69738142E+03 E0= -.69738901E+03 d E =-.915888E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697383817175E+03 -0.23984E-02 -0.16883E+00113892 0.311E+00 0.294E-01
RMM: 2 -0.697385525946E+03 -0.17088E-02 -0.25833E-02113880 0.374E-01 0.173E-01
RMM: 3 -0.697385636954E+03 -0.11101E-03 -0.35279E-03114293 0.143E-01 0.844E-02
RMM: 4 -0.697385686640E+03 -0.49687E-04 -0.89124E-04116789 0.647E-02 0.263E-02
RMM: 5 -0.697385700371E+03 -0.13730E-04 -0.16678E-04121571 0.276E-02 0.139E-02
RMM: 6 -0.697385702431E+03 -0.20608E-05 -0.29402E-05 81250 0.118E-02
251 F= -.69738570E+03 E0= -.69739333E+03 d E =-.428147E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697386123329E+03 -0.42296E-03 -0.21510E+00113880 0.351E+00 0.332E-01
RMM: 2 -0.697388297684E+03 -0.21744E-02 -0.32874E-02113880 0.422E-01 0.195E-01
RMM: 3 -0.697388438463E+03 -0.14078E-03 -0.44902E-03114308 0.162E-01 0.951E-02
RMM: 4 -0.697388501765E+03 -0.63303E-04 -0.11335E-03116774 0.729E-02 0.297E-02
RMM: 5 -0.697388519239E+03 -0.17474E-04 -0.21215E-04121919 0.311E-02 0.157E-02
RMM: 6 -0.697388521857E+03 -0.26178E-05 -0.37350E-05 86813 0.133E-02
252 F= -.69738852E+03 E0= -.69739620E+03 d E =-.710090E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697378167215E+03 0.10352E-01 -0.86031E+00113880 0.702E+00 0.666E-01
RMM: 2 -0.697386856268E+03 -0.86891E-02 -0.13135E-01113880 0.844E-01 0.390E-01
RMM: 3 -0.697387414069E+03 -0.55780E-03 -0.17901E-02114300 0.323E-01 0.191E-01
RMM: 4 -0.697387664634E+03 -0.25056E-03 -0.45190E-03116743 0.146E-01 0.598E-02
RMM: 5 -0.697387734507E+03 -0.69873E-04 -0.84580E-04122172 0.622E-02 0.315E-02
RMM: 6 -0.697387745247E+03 -0.10740E-04 -0.15132E-04111891 0.266E-02 0.973E-03
RMM: 7 -0.697387748158E+03 -0.29115E-05 -0.32765E-05 83121 0.118E-02
253 F= -.69738775E+03 E0= -.69739552E+03 d E =-.632720E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697385551160E+03 0.21941E-02 -0.33126E+00113880 0.436E+00 0.412E-01
RMM: 2 -0.697388887707E+03 -0.33365E-02 -0.50419E-02113880 0.523E-01 0.242E-01
RMM: 3 -0.697389102352E+03 -0.21465E-03 -0.68601E-03114279 0.200E-01 0.118E-01
RMM: 4 -0.697389198192E+03 -0.95840E-04 -0.17249E-03116639 0.901E-02 0.367E-02
RMM: 5 -0.697389225105E+03 -0.26914E-04 -0.32603E-04122192 0.385E-02 0.194E-02
RMM: 6 -0.697389229054E+03 -0.39483E-05 -0.56929E-05 98333 0.164E-02
254 F= -.69738923E+03 E0= -.69739694E+03 d E =-.780809E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697391325813E+03 -0.21007E-02 -0.30913E+00113880 0.421E+00 0.405E-01
RMM: 2 -0.697394566335E+03 -0.32405E-02 -0.48477E-02113880 0.511E-01 0.232E-01
RMM: 3 -0.697394813066E+03 -0.24673E-03 -0.67355E-03115543 0.195E-01 0.115E-01
RMM: 4 -0.697394887998E+03 -0.74932E-04 -0.14716E-03115808 0.854E-02 0.349E-02
RMM: 5 -0.697394911794E+03 -0.23796E-04 -0.28917E-04122490 0.368E-02 0.177E-02
RMM: 6 -0.697394915483E+03 -0.36895E-05 -0.53115E-05 95559 0.158E-02
255 F= -.69739492E+03 E0= -.69740261E+03 d E =-.568643E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697391658448E+03 0.32533E-02 -0.57856E+00113880 0.576E+00 0.554E-01
RMM: 2 -0.697397758585E+03 -0.61001E-02 -0.91147E-02113880 0.700E-01 0.317E-01
RMM: 3 -0.697398228380E+03 -0.46979E-03 -0.12737E-02115621 0.267E-01 0.158E-01
RMM: 4 -0.697398369401E+03 -0.14102E-03 -0.27746E-03115874 0.117E-01 0.480E-02
RMM: 5 -0.697398414335E+03 -0.44934E-04 -0.54580E-04122925 0.505E-02 0.244E-02
RMM: 6 -0.697398421411E+03 -0.70764E-05 -0.10085E-04107780 0.216E-02 0.839E-03
RMM: 7 -0.697398423204E+03 -0.17924E-05 -0.20196E-05 75931 0.948E-03
256 F= -.69739842E+03 E0= -.69740608E+03 d E =-.919415E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697400731370E+03 -0.23100E-02 -0.43970E+00113880 0.502E+00 0.486E-01
RMM: 2 -0.697405236584E+03 -0.45052E-02 -0.68346E-02113880 0.607E-01 0.283E-01
RMM: 3 -0.697405518709E+03 -0.28213E-03 -0.92965E-03114526 0.231E-01 0.142E-01
RMM: 4 -0.697405627445E+03 -0.10874E-03 -0.22712E-03115476 0.105E-01 0.435E-02
RMM: 5 -0.697405665175E+03 -0.37731E-04 -0.46769E-04123046 0.456E-02 0.235E-02
RMM: 6 -0.697405669973E+03 -0.47978E-05 -0.78582E-05105714 0.192E-02
257 F= -.69740567E+03 E0= -.69741333E+03 d E =-.724677E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.697405742619E+03 -0.77443E-04 -0.17333E+00114804 0.315E+00 0.305E-01
RMM: 2 -0.697407520221E+03 -0.17776E-02 -0.26980E-02113880 0.381E-01 0.177E-01
RMM: 3 -0.697407633223E+03 -0.11300E-03 -0.36861E-03114572 0.146E-01 0.895E-02
RMM: 4 -0.697407676815E+03 -0.43593E-04 -0.89917E-04115549 0.658E-02 0.274E-02
RMM: 5 -0.697407691565E+03 -0.14750E-04 -0.18472E-04122131 0.286E-02 0.147E-02