N E dE d eps ncg rms rms(c)
DAV: 1 0.288529469546E+04 0.28853E+04 -0.10260E+05 57819 0.180E+03
DAV: 2 0.314188317763E+03 -0.25711E+04 -0.23780E+04 66240 0.104E+03
DAV: 3 -0.269208297255E+02 -0.34111E+03 -0.32744E+03 94371 0.312E+02
DAV: 4 -0.408672223168E+02 -0.13946E+02 -0.13505E+02 88953 0.726E+01
DAV: 5 -0.415407285326E+02 -0.67351E+00 -0.66289E+00 93849 0.135E+01 0.301E+02
RMM: 6 -0.378927551698E+02 0.36480E+01 -0.26541E+01 63883 0.382E+01 0.223E+02
RMM: 7 -0.475142644661E+02 -0.96215E+01 -0.47155E+01 73364 0.447E+01 0.127E+02
RMM: 8 -0.354220468539E+02 0.12092E+02 -0.98234E+00 59720 0.272E+01 0.599E+01
RMM: 9 -0.333622732473E+02 0.20598E+01 -0.62912E+00 76617 0.848E+00 0.459E+01
RMM: 10 -0.308412461951E+02 0.25210E+01 -0.23846E+00 77393 0.750E+00 0.271E+01
RMM: 11 -0.303851425129E+02 0.45610E+00 -0.87025E-01 78579 0.401E+00 0.182E+01
RMM: 12 -0.303575102761E+02 0.27632E-01 -0.53776E-01 78751 0.315E+00 0.126E+01
RMM: 13 -0.302950011366E+02 0.62509E-01 -0.13387E-01 78817 0.168E+00 0.629E+00
RMM: 14 -0.303208961286E+02 -0.25895E-01 -0.57755E-02 75129 0.124E+00 0.997E+00
RMM: 15 -0.303142769992E+02 0.66191E-02 -0.64020E-02 75444 0.122E+00 0.829E+00
RMM: 16 -0.302894743738E+02 0.24803E-01 -0.11414E-02 63795 0.706E-01 0.255E+00
RMM: 17 -0.302888674615E+02 0.60691E-03 -0.72131E-03 75935 0.310E-01 0.827E-01
RMM: 18 -0.302893348977E+02 -0.46744E-03 -0.13429E-03 82756 0.147E-01 0.145E+00
RMM: 19 -0.302890270106E+02 0.30789E-03 -0.32230E-04 67995 0.638E-02 0.110E+00
RMM: 20 -0.302887297972E+02 0.29721E-03 -0.45852E-04 75494 0.104E-01 0.209E-01
RMM: 21 -0.302887657205E+02 -0.35923E-04 -0.85622E-05 52399 0.378E-02 0.163E-01
RMM: 22 -0.302887604520E+02 0.52685E-05 -0.14051E-05 34441 0.332E-02
1 F= -.30288760E+02 E0= -.30295395E+02 d E =-.302888E+02
N E dE d eps ncg rms rms(c)
DAV: 1 0.945487050009E+03 0.97578E+03 -0.45155E+04 89451 0.113E+03 0.865E+02
RMM: 2 0.470723303357E+03 -0.47476E+03 -0.67757E+03 90373 0.505E+02 0.568E+02
RMM: 3 0.265968545836E+03 -0.20475E+03 -0.21564E+03 95195 0.212E+02 0.450E+02
RMM: 4 0.209390174938E+03 -0.56578E+02 -0.80110E+02 84445 0.137E+02 0.205E+02
RMM: 5 0.180771324694E+03 -0.28619E+02 -0.35809E+02 85791 0.663E+01 0.967E+01
RMM: 6 0.171742689102E+03 -0.90286E+01 -0.16890E+02 86754 0.354E+01 0.796E+01
RMM: 7 0.165073541745E+03 -0.66691E+01 -0.97139E+01 86928 0.219E+01 0.550E+01
RMM: 8 0.161098022167E+03 -0.39755E+01 -0.66479E+01 82903 0.176E+01 0.386E+01
RMM: 9 0.158055204802E+03 -0.30428E+01 -0.30092E+01 84676 0.100E+01 0.343E+01
RMM: 10 0.157910018254E+03 -0.14519E+00 -0.84208E+00 83080 0.615E+00 0.222E+01
RMM: 11 0.157751862014E+03 -0.15816E+00 -0.40004E+00 81523 0.457E+00 0.156E+01
RMM: 12 0.157558127328E+03 -0.19373E+00 -0.21201E+00 80971 0.328E+00 0.707E+00
RMM: 13 0.157463354959E+03 -0.94772E-01 -0.13873E+00 75135 0.234E+00 0.570E+00
RMM: 14 0.157378842920E+03 -0.84512E-01 -0.83601E-01 80761 0.137E+00 0.456E+00
RMM: 15 0.157331883032E+03 -0.46960E-01 -0.46988E-01 80099 0.993E-01 0.299E+00
RMM: 16 0.157295652364E+03 -0.36231E-01 -0.33805E-01 80593 0.824E-01 0.183E+00
RMM: 17 0.157272979618E+03 -0.22673E-01 -0.22413E-01 77210 0.581E-01 0.130E+00
RMM: 18 0.157257190294E+03 -0.15789E-01 -0.15109E-01 80976 0.504E-01 0.941E-01
RMM: 19 0.157246765614E+03 -0.10425E-01 -0.97888E-02 76624 0.289E-01 0.107E+00
RMM: 20 0.157239225161E+03 -0.75405E-02 -0.68712E-02 62058 0.211E-01 0.164E+00
RMM: 21 0.157235515072E+03 -0.37101E-02 -0.43660E-02 78784 0.218E-01 0.847E-01
RMM: 22 0.157232514286E+03 -0.30008E-02 -0.29406E-02 62055 0.138E-01 0.795E-01
RMM: 23 0.157230673901E+03 -0.18404E-02 -0.18915E-02 58864 0.119E-01 0.629E-01
RMM: 24 0.157229504756E+03 -0.11691E-02 -0.12492E-02 68053 0.106E-01 0.211E-01
RMM: 25 0.157228656646E+03 -0.84811E-03 -0.80251E-03 60504 0.930E-02 0.371E-01
RMM: 26 0.157228062343E+03 -0.59430E-03 -0.52493E-03 62178 0.764E-02 0.634E-01
RMM: 27 0.157227771375E+03 -0.29097E-03 -0.33934E-03 43446 0.613E-02 0.419E-01
RMM: 28 0.157227567584E+03 -0.20379E-03 -0.22468E-03 42278 0.370E-02 0.263E-01
RMM: 29 0.157227424842E+03 -0.14274E-03 -0.14150E-03 41205 0.307E-02 0.242E-01
RMM: 30 0.157227333090E+03 -0.91752E-04 -0.93413E-04 40155 0.207E-02 0.212E-01
RMM: 31 0.157227273613E+03 -0.59477E-04 -0.58849E-04 39309 0.173E-02 0.209E-01
RMM: 32 0.157227239342E+03 -0.34271E-04 -0.38538E-04 39214 0.170E-02 0.162E-01
RMM: 33 0.157227217088E+03 -0.22254E-04 -0.23694E-04 38587 0.156E-02 0.143E-01
RMM: 34 0.157227203178E+03 -0.13910E-04 -0.16011E-04 37270 0.112E-02 0.110E-01
RMM: 35 0.157227196081E+03 -0.70968E-05 -0.10217E-04 37597 0.145E-02 0.361E-02
RMM: 36 0.157227189552E+03 -0.65298E-05 -0.66529E-05 36803 0.126E-02
2 F= 0.15722719E+03 E0= 0.15723783E+03 d E =0.187516E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.200019006118E+02 -0.13723E+03 -0.75363E+03 69888 0.385E+02 0.892E+02
RMM: 2 -0.473469635657E+00 -0.20475E+02 -0.29184E+02 60942 0.143E+02 0.557E+02
RMM: 3 -0.233818814349E+02 -0.22908E+02 -0.15677E+02 77405 0.611E+01 0.101E+02
RMM: 4 -0.119533443339E+02 0.11429E+02 -0.21522E+01 66991 0.342E+01 0.470E+01
RMM: 5 -0.136387995752E+02 -0.16855E+01 -0.16792E+01 78596 0.137E+01 0.541E+01
RMM: 6 -0.125432848032E+02 0.10955E+01 -0.46458E+00 76693 0.781E+00 0.272E+01
RMM: 7 -0.126167488352E+02 -0.73464E-01 -0.18225E+00 81542 0.412E+00 0.250E+01
RMM: 8 -0.125418913838E+02 0.74857E-01 -0.58019E-01 82587 0.206E+00 0.147E+01
RMM: 9 -0.126650562301E+02 -0.12316E+00 -0.30011E-01 75322 0.234E+00 0.211E+01
RMM: 10 -0.125694798861E+02 0.95576E-01 -0.21974E-01 74206 0.208E+00 0.103E+01
RMM: 11 -0.125662179505E+02 0.32619E-02 -0.78919E-02 69375 0.126E+00 0.602E+00
RMM: 12 -0.125622300610E+02 0.39879E-02 -0.39967E-02 81118 0.477E-01 0.206E+00
RMM: 13 -0.125639516707E+02 -0.17216E-02 -0.17336E-02 80739 0.180E-01 0.201E+00
RMM: 14 -0.125653023489E+02 -0.13507E-02 -0.89330E-03 75748 0.214E-01 0.297E+00
RMM: 15 -0.125645498651E+02 0.75248E-03 -0.33342E-03 76884 0.187E-01 0.164E+00
RMM: 16 -0.125643369483E+02 0.21292E-03 -0.14518E-03 72882 0.926E-02 0.108E+00
RMM: 17 -0.125643597179E+02 -0.22770E-04 -0.46821E-04 53535 0.437E-02 0.991E-01
RMM: 18 -0.125642515732E+02 0.10814E-03 -0.25071E-04 63898 0.572E-02 0.396E-01
RMM: 19 -0.125642564540E+02 -0.48808E-05 -0.13996E-04 58153 0.524E-02 0.228E-01
RMM: 20 -0.125642713412E+02 -0.14887E-04 -0.47074E-05 41663 0.279E-02 0.317E-01
RMM: 21 -0.125642636300E+02 0.77112E-05 -0.18485E-05 36356 0.326E-02
3 F= -.12564264E+02 E0= -.12558553E+02 d E =-.169791E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.289878301569E+04 0.29113E+04 -0.67710E+04 97686 0.110E+03 0.881E+02
RMM: 2 0.209281914343E+04 -0.80596E+03 -0.99622E+03 84198 0.638E+02 0.334E+02
RMM: 3 0.187186075039E+04 -0.22096E+03 -0.25201E+03 85488 0.224E+02 0.358E+02
RMM: 4 0.179602193581E+04 -0.75839E+02 -0.79515E+02 88254 0.103E+02 0.400E+02
RMM: 5 0.169426734879E+04 -0.10175E+03 -0.43582E+02 90119 0.646E+01 0.467E+02
RMM: 6 0.164266562677E+04 -0.51602E+02 -0.20139E+02 91747 0.392E+01 0.526E+02
RMM: 7 0.172680026767E+04 0.84135E+02 -0.72807E+01 71953 0.436E+01 0.435E+02
RMM: 8 0.457912231953E+03 -0.12689E+04 -0.33362E+03104889 0.237E+02 0.746E+02
RMM: 9 0.445505301276E+03 -0.12407E+02 -0.10022E+03 99146 0.841E+01 0.837E+02
RMM: 10 0.817430045002E+03 0.37192E+03 -0.25696E+02 91447 0.489E+01 0.764E+02
RMM: 11 0.164894597270E+04 0.83152E+03 -0.48176E+02 98113 0.104E+02 0.447E+02
RMM: 12 0.178548503244E+04 0.13654E+03 -0.14662E+02 90511 0.439E+01 0.351E+02
RMM: 13 0.180738020191E+04 0.21895E+02 -0.69777E+01 88258 0.368E+01 0.225E+02
RMM: 14 0.181246431033E+04 0.50841E+01 -0.17540E+01 91648 0.201E+01 0.212E+02
RMM: 15 0.182212566881E+04 0.96614E+01 -0.21639E+01 86565 0.211E+01 0.139E+02
RMM: 16 0.182454995844E+04 0.24243E+01 -0.17644E+01 87645 0.160E+01 0.108E+02
RMM: 17 0.182364557553E+04 -0.90438E+00 -0.31343E+00 73434 0.117E+01 0.103E+02
RMM: 18 0.182473881916E+04 0.10932E+01 -0.46850E+00 72709 0.124E+01 0.780E+01
RMM: 19 0.182651239074E+04 0.17736E+01 -0.21301E+00 78271 0.647E+00 0.598E+01
RMM: 20 0.182652699885E+04 0.14608E-01 -0.10398E+00 83353 0.468E+00 0.434E+01
RMM: 21 0.182673606739E+04 0.20907E+00 -0.13887E+00 83745 0.579E+00 0.380E+01
RMM: 22 0.182700285075E+04 0.26678E+00 -0.99414E-01 85097 0.479E+00 0.378E+01
RMM: 23 0.182707448861E+04 0.71638E-01 -0.54934E-01 86687 0.324E+00 0.308E+01
RMM: 24 0.182742661710E+04 0.35213E+00 -0.28620E-01 78487 0.299E+00 0.243E+01
RMM: 25 0.182746133169E+04 0.34715E-01 -0.15773E-01 78573 0.223E+00 0.202E+01
RMM: 26 0.182758808792E+04 0.12676E+00 -0.23888E-01 82602 0.215E+00 0.247E+01
RMM: 27 0.182769036641E+04 0.10228E+00 -0.26916E-01 84848 0.232E+00 0.157E+01
RMM: 28 0.182770923300E+04 0.18867E-01 -0.49570E-02 78663 0.117E+00 0.101E+01
RMM: 29 0.182770809707E+04 -0.11359E-02 -0.81270E-02 81457 0.132E+00 0.113E+01
RMM: 30 0.182775214585E+04 0.44049E-01 -0.50696E-02 81428 0.106E+00 0.974E+00
RMM: 31 0.182775561509E+04 0.34692E-02 -0.33945E-02 83714 0.691E-01 0.728E+00
RMM: 32 0.182772793299E+04 -0.27682E-01 -0.22651E-02 83654 0.689E-01 0.985E+00
RMM: 33 0.182769783940E+04 -0.30094E-01 -0.27060E-02 84770 0.624E-01 0.946E+00
RMM: 34 0.182772979303E+04 0.31954E-01 -0.16817E-02 80336 0.795E-01 0.562E+00
RMM: 35 0.182771951280E+04 -0.10280E-01 -0.47019E-03 82648 0.366E-01 0.500E+00
RMM: 36 0.182772000307E+04 0.49027E-03 -0.16460E-03 81966 0.183E-01 0.474E+00
RMM: 37 0.182773934513E+04 0.19342E-01 -0.27241E-03 80350 0.250E-01 0.445E+00
RMM: 38 0.182776057633E+04 0.21231E-01 -0.15301E-02 93102 0.523E-01 0.559E+00
RMM: 39 0.182776492869E+04 0.43524E-02 -0.14544E-03 83107 0.181E-01 0.457E+00
RMM: 40 0.182776767524E+04 0.27465E-02 -0.25691E-03 85553 0.189E-01 0.425E+00
RMM: 41 0.182776801335E+04 0.33811E-03 -0.29352E-03 88356 0.205E-01 0.390E+00
RMM: 42 0.182776817440E+04 0.16105E-03 -0.48213E-04 76653 0.955E-02 0.379E+00
RMM: 43 0.182776823475E+04 0.60349E-04 -0.24104E-04 61076 0.551E-02 0.375E+00
RMM: 44 0.182776841439E+04 0.17964E-03 -0.73474E-05 52805 0.345E-02 0.367E+00
RMM: 45 0.182776831248E+04 -0.10191E-03 -0.45001E-05 46935 0.236E-02 0.368E+00
RMM: 46 0.182776829815E+04 -0.14338E-04 -0.26370E-05 42181 0.176E-02 0.367E+00
RMM: 47 0.182776751211E+04 -0.78604E-03 -0.24004E-04 77394 0.837E-02 0.399E+00
RMM: 48 0.182776782465E+04 0.31255E-03 -0.24531E-05 40075 0.306E-02 0.397E+00
RMM: 49 0.182776837706E+04 0.55240E-03 -0.54656E-05 46494 0.455E-02 0.381E+00
RMM: 50 0.182777028973E+04 0.19127E-02 -0.10025E-03 92091 0.165E-01 0.285E+00
RMM: 51 0.182777025242E+04 -0.37305E-04 -0.10650E-04 63304 0.590E-02 0.224E+00
RMM: 52 0.182776961492E+04 -0.63750E-03 -0.19503E-03 95679 0.222E-01 0.195E+00
RMM: 53 0.182777013800E+04 0.52308E-03 -0.28924E-04 78923 0.115E-01 0.131E+00
RMM: 54 0.182777058345E+04 0.44545E-03 -0.23628E-04 82083 0.868E-02 0.580E-01
RMM: 55 0.182777055806E+04 -0.25393E-04 -0.17996E-04 75744 0.745E-02 0.371E-01
RMM: 56 0.182777058272E+04 0.24663E-04 -0.99583E-05 63502 0.534E-02 0.299E-01
RMM: 57 0.182777059695E+04 0.14225E-04 -0.64553E-05 54132 0.398E-02 0.148E-01
RMM: 58 0.182777058748E+04 -0.94721E-05 -0.28161E-05 39479 0.309E-02
4 F= 0.18277706E+04 E0= 0.18277773E+04 d E =0.184033E+04
N E dE d eps ncg rms rms(c)
DAV: 1 0.274136342200E+03 -0.15536E+04 -0.51968E+03 67812 0.264E+02 0.391E+02
RMM: 2 0.248533857080E+03 -0.25602E+02 -0.33660E+02 67008 0.126E+02 0.261E+02
RMM: 3 0.167478833767E+03 -0.81055E+02 -0.17880E+02 77404 0.645E+01 0.152E+02
RMM: 4 0.232450647332E+03 0.64972E+02 -0.75850E+01 65868 0.598E+01 0.534E+01
RMM: 5 0.239680941111E+03 0.72303E+01 -0.27193E+01 76308 0.248E+01 0.378E+01
RMM: 6 0.240898361152E+03 0.12174E+01 -0.65188E+00 77095 0.105E+01 0.286E+01
RMM: 7 0.241763665193E+03 0.86530E+00 -0.32615E+00 77723 0.827E+00 0.261E+01
RMM: 8 0.242179906851E+03 0.41624E+00 -0.70558E-01 76264 0.405E+00 0.189E+01
RMM: 9 0.242282546953E+03 0.10264E+00 -0.63044E-01 72350 0.446E+00 0.238E+01
RMM: 10 0.242347936575E+03 0.65390E-01 -0.30139E-01 70315 0.344E+00 0.125E+01
RMM: 11 0.242454621345E+03 0.10668E+00 -0.23593E-01 74579 0.257E+00 0.789E+00
RMM: 12 0.242483121951E+03 0.28501E-01 -0.77990E-02 74806 0.156E+00 0.539E+00
RMM: 13 0.242502638796E+03 0.19517E-01 -0.27405E-02 70641 0.956E-01 0.420E+00
RMM: 14 0.242507011151E+03 0.43724E-02 -0.87947E-03 73958 0.516E-01 0.340E+00
RMM: 15 0.242510235234E+03 0.32241E-02 -0.82993E-03 75680 0.411E-01 0.288E+00
RMM: 16 0.242510493563E+03 0.25833E-03 -0.24513E-03 70992 0.295E-01 0.938E-01
RMM: 17 0.242511214300E+03 0.72074E-03 -0.15540E-03 69383 0.212E-01 0.396E-01
RMM: 18 0.242511088274E+03 -0.12603E-03 -0.41005E-04 65365 0.115E-01 0.612E-01
RMM: 19 0.242511245894E+03 0.15762E-03 -0.15009E-04 54460 0.708E-02 0.201E-01
RMM: 20 0.242511239777E+03 -0.61175E-05 -0.69454E-05 46135 0.426E-02
5 F= 0.24251124E+03 E0= 0.24250860E+03 d E =-.158526E+04
N E dE d eps ncg rms rms(c)
DAV: 1 0.169348000415E+04 0.14510E+04 -0.64423E+04 98352 0.115E+03 0.138E+03
RMM: 2 0.118018937484E+04 -0.51329E+03 -0.92390E+03 93054 0.655E+02 0.687E+02
RMM: 3 0.883836003106E+03 -0.29635E+03 -0.31978E+03 97033 0.268E+02 0.678E+02
RMM: 4 0.746985163296E+03 -0.13685E+03 -0.13446E+03 98034 0.157E+02 0.758E+02
RMM: 5 0.649955826290E+03 -0.97029E+02 -0.79914E+02 99747 0.101E+02 0.910E+02
RMM: 6 0.634638499384E+03 -0.15317E+02 -0.49059E+02 94329 0.842E+01 0.535E+02
RMM: 7 0.669090310666E+03 0.34452E+02 -0.37597E+02 89371 0.718E+01 0.285E+02
RMM: 8 0.652630543941E+03 -0.16460E+02 -0.26134E+02 92906 0.417E+01 0.260E+02
RMM: 9 0.633457406698E+03 -0.19173E+02 -0.18593E+02 95884 0.319E+01 0.276E+02
RMM: 10 0.606800349301E+03 -0.26657E+02 -0.18078E+02 91617 0.271E+01 0.305E+02
RMM: 11 0.588480643879E+03 -0.18320E+02 -0.13107E+02 89215 0.214E+01 0.347E+02
RMM: 12 0.581216572701E+03 -0.72641E+01 -0.69975E+01 90660 0.145E+01 0.365E+02
RMM: 13 0.579347096065E+03 -0.18695E+01 -0.26496E+01 90771 0.867E+00 0.387E+02
RMM: 14 0.575623842446E+03 -0.37233E+01 -0.12923E+01 83204 0.594E+00 0.413E+02
RMM: 15 0.582198137002E+03 0.65743E+01 -0.67794E+00 77973 0.590E+00 0.426E+02
RMM: 16 0.624585431017E+03 0.42387E+02 -0.33915E+01102216 0.234E+01 0.250E+02
RMM: 17 0.629600761956E+03 0.50153E+01 -0.64641E+00 87120 0.640E+00 0.220E+02
RMM: 18 0.627571564371E+03 -0.20292E+01 -0.90340E-01 75217 0.328E+00 0.223E+02
RMM: 19 0.633222234316E+03 0.56507E+01 -0.24319E+00 84400 0.535E+00 0.196E+02
RMM: 20 0.639120272137E+03 0.58980E+01 -0.57773E+00 96253 0.923E+00 0.162E+02
RMM: 21 0.642683656765E+03 0.35634E+01 -0.65093E+00 97293 0.963E+00 0.136E+02
RMM: 22 0.642709832578E+03 0.26176E-01 -0.71075E-01 84183 0.254E+00 0.134E+02
RMM: 23 0.642843440849E+03 0.13361E+00 -0.35562E+00 97165 0.769E+00 0.114E+02
RMM: 24 0.642987775808E+03 0.14433E+00 -0.10239E+00 87825 0.410E+00 0.115E+02
RMM: 25 0.642141604324E+03 -0.84617E+00 -0.88765E-01 86297 0.419E+00 0.134E+02
RMM: 26 0.641814848244E+03 -0.32676E+00 -0.21455E-01 81531 0.161E+00 0.145E+02
RMM: 27 0.641711749322E+03 -0.10310E+00 -0.19718E-01 79883 0.198E+00 0.155E+02
RMM: 28 0.641654423786E+03 -0.57326E-01 -0.34301E-01 85431 0.248E+00 0.176E+02
RMM: 29 0.641089955771E+03 -0.56447E+00 -0.21755E-01 83542 0.186E+00 0.194E+02
RMM: 30 0.641129301358E+03 0.39346E-01 -0.44679E-02 73692 0.109E+00 0.204E+02
RMM: 31 0.640885350497E+03 -0.24395E+00 -0.34675E-02 82496 0.684E-01 0.209E+02
RMM: 32 0.641506307410E+03 0.62096E+00 -0.10333E-01 87231 0.156E+00 0.193E+02
RMM: 33 0.641800569252E+03 0.29426E+00 -0.58883E-02 81513 0.884E-01 0.181E+02
RMM: 34 0.642507766846E+03 0.70720E+00 -0.40706E-01100888 0.280E+00 0.113E+02
RMM: 35 0.643071800380E+03 0.56403E+00 -0.31406E-01 95904 0.206E+00 0.941E+01
RMM: 36 0.643155113765E+03 0.83313E-01 -0.70053E-02 85237 0.793E-01 0.895E+01
RMM: 37 0.643259197547E+03 0.10408E+00 -0.24771E-02 81829 0.556E-01 0.853E+01
RMM: 38 0.643342858693E+03 0.83661E-01 -0.22931E-02 81870 0.543E-01 0.783E+01
RMM: 39 0.643598209440E+03 0.25535E+00 -0.10919E-01 94675 0.135E+00 0.639E+01
RMM: 40 0.643659057678E+03 0.60848E-01 -0.66908E-02 88717 0.869E-01 0.598E+01
RMM: 41 0.643721114077E+03 0.62056E-01 -0.28812E-02 85117 0.586E-01 0.581E+01
RMM: 42 0.643697706477E+03 -0.23408E-01 -0.19600E-02 83238 0.565E-01 0.560E+01
RMM: 43 0.643862443075E+03 0.16474E+00 -0.37395E-02 88279 0.792E-01 0.500E+01
RMM: 44 0.643883778314E+03 0.21335E-01 -0.80073E-03 81559 0.292E-01 0.498E+01
RMM: 45 0.643879294069E+03 -0.44842E-02 -0.17375E-03 79683 0.138E-01 0.500E+01
RMM: 46 0.643894305202E+03 0.15011E-01 -0.18404E-03 77069 0.133E-01 0.497E+01
RMM: 47 0.643945711432E+03 0.51406E-01 -0.15950E-01106134 0.154E+00 0.574E+01
RMM: 48 0.643914884093E+03 -0.30827E-01 -0.28603E-02 98973 0.495E-01 0.601E+01
RMM: 49 0.643854677212E+03 -0.60207E-01 -0.32136E-02101035 0.637E-01 0.626E+01
RMM: 50 0.643837379926E+03 -0.17297E-01 -0.21995E-02100810 0.543E-01 0.644E+01
RMM: 51 0.643556659371E+03 -0.28072E+00 -0.15875E-01105122 0.150E+00 0.735E+01
RMM: 52 0.643732900821E+03 0.17624E+00 -0.13335E+00106148 0.504E+00 0.134E+02
RMM: 53 0.643729240848E+03 -0.36600E-02 -0.63485E-02102702 0.785E-01 0.133E+02
RMM: 54 0.643717092388E+03 -0.12148E-01 -0.10764E-02 88215 0.256E-01 0.136E+02
RMM: 55 0.643748261889E+03 0.31170E-01 -0.49404E-03 88029 0.264E-01 0.134E+02
RMM: 56 0.643693166782E+03 -0.55095E-01 -0.18969E-02102364 0.533E-01 0.140E+02
RMM: 57 0.643381001989E+03 -0.31216E+00 -0.34106E+00106152 0.691E+00 0.363E+01
RMM: 58 0.643623105271E+03 0.24210E+00 -0.15459E-01106058 0.161E+00 0.260E+01
RMM: 59 0.643823345824E+03 0.20024E+00 -0.18747E-01105583 0.188E+00 0.157E+01
RMM: 60 0.643946691392E+03 0.12335E+00 -0.79138E-02105851 0.954E-01
6 F= 0.64394669E+03 E0= 0.64395509E+03 d E =0.401435E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.913402986995E+03 0.26958E+03 -0.46395E+04 90324 0.110E+03 0.147E+03
RMM: 2 0.580016333707E+03 -0.33339E+03 -0.56308E+03 91104 0.527E+02 0.101E+03
RMM: 3 0.360114226218E+03 -0.21990E+03 -0.23206E+03 96052 0.213E+02 0.605E+02
RMM: 4 0.307354180793E+03 -0.52760E+02 -0.83794E+02 90717 0.133E+02 0.336E+02
RMM: 5 0.277056978647E+03 -0.30297E+02 -0.42958E+02 88017 0.737E+01 0.179E+02
RMM: 6 0.275863409106E+03 -0.11936E+01 -0.21374E+02 84779 0.456E+01 0.799E+01
RMM: 7 0.275024237506E+03 -0.83917E+00 -0.75329E+01 86265 0.246E+01 0.559E+01
RMM: 8 0.272277422400E+03 -0.27468E+01 -0.34186E+01 85607 0.142E+01 0.382E+01
RMM: 9 0.271388423115E+03 -0.88900E+00 -0.14040E+01 88842 0.881E+00 0.232E+01
RMM: 10 0.270595265163E+03 -0.79316E+00 -0.81473E+00 84860 0.699E+00 0.127E+01
RMM: 11 0.270157434992E+03 -0.43783E+00 -0.49198E+00 79938 0.494E+00 0.934E+00
RMM: 12 0.269893803882E+03 -0.26363E+00 -0.29671E+00 87621 0.325E+00 0.835E+00
RMM: 13 0.269701268352E+03 -0.19254E+00 -0.20116E+00 88165 0.241E+00 0.469E+00
RMM: 14 0.269560143607E+03 -0.14112E+00 -0.13589E+00 89233 0.195E+00 0.456E+00
RMM: 15 0.269465423753E+03 -0.94720E-01 -0.98514E-01 86133 0.160E+00 0.141E+00
RMM: 16 0.269393313712E+03 -0.72110E-01 -0.68662E-01 87744 0.121E+00 0.139E+00
RMM: 17 0.269340229536E+03 -0.53084E-01 -0.51113E-01 88231 0.918E-01 0.106E+00
RMM: 18 0.269302195786E+03 -0.38034E-01 -0.36418E-01 74558 0.714E-01 0.170E+00
RMM: 19 0.269271778846E+03 -0.30417E-01 -0.28202E-01 81261 0.685E-01 0.357E+00
RMM: 20 0.269251075040E+03 -0.20704E-01 -0.19686E-01 78152 0.511E-01 0.455E+00
RMM: 21 0.269235111701E+03 -0.15963E-01 -0.14984E-01 76803 0.424E-01 0.535E+00
RMM: 22 0.269226399135E+03 -0.87126E-02 -0.10271E-01 74502 0.367E-01 0.460E+00
RMM: 23 0.269214135826E+03 -0.12263E-01 -0.82967E-02 87805 0.382E-01 0.707E+00
RMM: 24 0.269204065311E+03 -0.10071E-01 -0.58524E-02 87983 0.322E-01 0.926E+00
RMM: 25 0.269200806621E+03 -0.32587E-02 -0.41937E-02 64189 0.217E-01 0.915E+00
RMM: 26 0.269195979223E+03 -0.48274E-02 -0.30515E-02 71421 0.193E-01 0.101E+01
RMM: 27 0.269195644228E+03 -0.33500E-03 -0.21243E-02 57089 0.159E-01 0.960E+00
RMM: 28 0.269195945352E+03 0.30112E-03 -0.15030E-02 68910 0.136E-01 0.910E+00
RMM: 29 0.269195627601E+03 -0.31775E-03 -0.10645E-02 59634 0.115E-01 0.891E+00
RMM: 30 0.269195100603E+03 -0.52700E-03 -0.74320E-03 49808 0.838E-02 0.889E+00
RMM: 31 0.269194795495E+03 -0.30511E-03 -0.53116E-03 46043 0.730E-02 0.884E+00
RMM: 32 0.269198620101E+03 0.38246E-02 -0.41789E-03101744 0.167E-01 0.727E+00
RMM: 33 0.269199918577E+03 0.12985E-02 -0.27696E-03 81227 0.919E-02 0.641E+00
RMM: 34 0.269202553359E+03 0.26348E-02 -0.24664E-03103241 0.163E-01 0.456E+00
RMM: 35 0.269204437838E+03 0.18845E-02 -0.25266E-03103369 0.164E-01 0.255E+00
RMM: 36 0.269205056847E+03 0.61901E-03 -0.15556E-03 97358 0.123E-01 0.119E+00
RMM: 37 0.269204979158E+03 -0.77689E-04 -0.55533E-04 49171 0.419E-02 0.117E+00
RMM: 38 0.269204934901E+03 -0.44257E-04 -0.40485E-04 44349 0.330E-02 0.117E+00
RMM: 39 0.269204899055E+03 -0.35846E-04 -0.24763E-04 42403 0.228E-02 0.119E+00
RMM: 40 0.269204875383E+03 -0.23672E-04 -0.17493E-04 40994 0.181E-02 0.120E+00
RMM: 41 0.269204859658E+03 -0.15725E-04 -0.11627E-04 40009 0.155E-02 0.122E+00
RMM: 42 0.269205037689E+03 0.17803E-03 -0.23137E-04 66347 0.635E-02 0.477E-01
RMM: 43 0.269205047438E+03 0.97489E-05 -0.95641E-05 42845 0.396E-02
7 F= 0.26920505E+03 E0= 0.26921303E+03 d E =-.374742E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.117899421112E+04 0.90979E+03 -0.51848E+04 94470 0.110E+03 0.148E+03
RMM: 2 0.784873965041E+03 -0.39412E+03 -0.66512E+03 93051 0.545E+02 0.903E+02
RMM: 3 0.525810239154E+03 -0.25906E+03 -0.25841E+03 96369 0.242E+02 0.479E+02
RMM: 4 0.452734446263E+03 -0.73076E+02 -0.98075E+02 90403 0.160E+02 0.175E+02
RMM: 5 0.407704031722E+03 -0.45030E+02 -0.59376E+02 94592 0.824E+01 0.129E+02
RMM: 6 0.381957863468E+03 -0.25746E+02 -0.34898E+02 93632 0.494E+01 0.965E+01
RMM: 7 0.363795166738E+03 -0.18163E+02 -0.23009E+02 90039 0.351E+01 0.569E+01
RMM: 8 0.347409978124E+03 -0.16385E+02 -0.16437E+02 89867 0.233E+01 0.497E+01
RMM: 9 0.338176104348E+03 -0.92339E+01 -0.98945E+01 88371 0.164E+01 0.663E+01
RMM: 10 0.330425205168E+03 -0.77509E+01 -0.60356E+01 84631 0.116E+01 0.122E+02
RMM: 11 0.331227321523E+03 0.80212E+00 -0.22644E+01 82562 0.929E+00 0.127E+02
RMM: 12 0.334467560250E+03 0.32402E+01 -0.11057E+01 81448 0.933E+00 0.690E+01
RMM: 13 0.334295839247E+03 -0.17172E+00 -0.53956E+00 83148 0.521E+00 0.557E+01
RMM: 14 0.333877549881E+03 -0.41829E+00 -0.20046E+00 87465 0.260E+00 0.696E+01
RMM: 15 0.334247839018E+03 0.37029E+00 -0.15455E+00 79772 0.446E+00 0.509E+01
RMM: 16 0.333903100304E+03 -0.34474E+00 -0.11336E+00 80452 0.258E+00 0.582E+01
RMM: 17 0.334167359799E+03 0.26426E+00 -0.36199E-01 76103 0.203E+00 0.442E+01
RMM: 18 0.334052937566E+03 -0.11442E+00 -0.25653E-01 79361 0.114E+00 0.464E+01
RMM: 19 0.334116546518E+03 0.63609E-01 -0.12564E-01 81634 0.743E-01 0.388E+01
RMM: 20 0.334217679413E+03 0.10113E+00 -0.91245E-02 80093 0.732E-01 0.271E+01
RMM: 21 0.334256286283E+03 0.38607E-01 -0.21492E-01 90995 0.150E+00 0.172E+01
RMM: 22 0.334248451925E+03 -0.78344E-02 -0.44849E-02 83646 0.499E-01 0.164E+01
RMM: 23 0.334213617361E+03 -0.34835E-01 -0.34598E-02 82825 0.396E-01 0.249E+01
RMM: 24 0.334209726438E+03 -0.38909E-02 -0.14869E-02 81593 0.252E-01 0.273E+01
RMM: 25 0.334274882553E+03 0.65156E-01 -0.20006E-02 89235 0.628E-01 0.104E+01
RMM: 26 0.334273983894E+03 -0.89866E-03 -0.28432E-02 91847 0.569E-01 0.564E+00
RMM: 27 0.334272923393E+03 -0.10605E-02 -0.41435E-03 80387 0.208E-01 0.407E+00
RMM: 28 0.334272333304E+03 -0.59009E-03 -0.27164E-03 80594 0.138E-01 0.558E+00
RMM: 29 0.334270850023E+03 -0.14833E-02 -0.22436E-03 81069 0.130E-01 0.758E+00
RMM: 30 0.334271429326E+03 0.57930E-03 -0.61442E-04 70856 0.877E-02 0.779E+00
RMM: 31 0.334271675722E+03 0.24640E-03 -0.30089E-04 58544 0.501E-02 0.788E+00
RMM: 32 0.334272415994E+03 0.74027E-03 -0.16275E-04 55866 0.590E-02 0.703E+00
RMM: 33 0.334272736637E+03 0.32064E-03 -0.13450E-04 54857 0.422E-02 0.647E+00
RMM: 34 0.334272739474E+03 0.28376E-05 -0.58207E-05 40644 0.422E-02
8 F= 0.33427274E+03 E0= 0.33427936E+03 d E =0.650677E+02
N E dE d eps ncg rms rms(c)
DAV: 1 0.345080241255E+03 0.10808E+02 -0.29017E+04 87846 0.103E+03 0.101E+03
RMM: 2 0.274431688821E+03 -0.70649E+02 -0.27101E+03 93358 0.339E+02 0.693E+02
RMM: 3 0.233104671084E+03 -0.41327E+02 -0.67652E+02105045 0.179E+02 0.294E+02
RMM: 4 0.216387367878E+03 -0.16717E+02 -0.39878E+02104759 0.132E+02 0.154E+02
RMM: 5 0.222825338025E+03 0.64380E+01 -0.24044E+02104854 0.888E+01 0.151E+02
RMM: 6 0.205209648329E+03 -0.17616E+02 -0.20096E+02105334 0.549E+01 0.153E+02
RMM: 7 0.187903292396E+03 -0.17306E+02 -0.15490E+02105467 0.461E+01 0.178E+02
RMM: 8 0.182879277552E+03 -0.50240E+01 -0.10979E+02105136 0.399E+01 0.177E+02
RMM: 9 0.192656993879E+03 0.97777E+01 -0.76936E+01104541 0.428E+01 0.187E+02
RMM: 10 0.194979009845E+03 0.23220E+01 -0.36278E+01105086 0.297E+01 0.164E+02
RMM: 11 0.194032958750E+03 -0.94605E+00 -0.24383E+01105451 0.247E+01 0.168E+02
RMM: 12 0.192358449995E+03 -0.16745E+01 -0.15822E+01105575 0.218E+01 0.171E+02
RMM: 13 0.192295904052E+03 -0.62546E-01 -0.17844E+01105041 0.204E+01 0.167E+02
RMM: 14 0.192598249773E+03 0.30235E+00 -0.15292E+01104497 0.199E+01 0.146E+02
RMM: 15 0.192614773446E+03 0.16524E-01 -0.13241E+01105415 0.172E+01 0.137E+02
RMM: 16 0.192113412347E+03 -0.50136E+00 -0.83999E+00105593 0.157E+01 0.136E+02
RMM: 17 0.192482275528E+03 0.36886E+00 -0.71317E+00105273 0.149E+01 0.137E+02
RMM: 18 0.190242946234E+03 -0.22393E+01 -0.64077E+00103990 0.147E+01 0.149E+02
RMM: 19 0.194150859134E+03 0.39079E+01 -0.95597E+00104444 0.161E+01 0.119E+02
RMM: 20 0.194574657609E+03 0.42380E+00 -0.12731E+01104850 0.136E+01 0.947E+01
RMM: 21 0.194272873993E+03 -0.30178E+00 -0.16374E+00105337 0.123E+01 0.990E+01
RMM: 22 0.193920804956E+03 -0.35207E+00 -0.46035E+00105442 0.109E+01 0.980E+01
RMM: 23 0.193720796540E+03 -0.20001E+00 -0.23092E+00105380 0.104E+01 0.997E+01
RMM: 24 0.193434646569E+03 -0.28615E+00 -0.32024E+00105651 0.976E+00 0.100E+02
RMM: 25 0.193243756379E+03 -0.19089E+00 -0.22181E+00105346 0.935E+00 0.102E+02
RMM: 26 0.192983007533E+03 -0.26075E+00 -0.22635E+00104679 0.889E+00 0.104E+02
RMM: 27 0.192825960498E+03 -0.15705E+00 -0.20170E+00104547 0.853E+00 0.105E+02
RMM: 28 0.191929435276E+03 -0.89653E+00 -0.25655E+00100868 0.968E+00 0.122E+02
RMM: 29 0.191875613759E+03 -0.53822E-01 -0.24752E+00103719 0.840E+00 0.125E+02
RMM: 30 0.192457956646E+03 0.58234E+00 -0.44410E+00104135 0.866E+00 0.116E+02
RMM: 31 0.193285063190E+03 0.82711E+00 -0.39473E+00104899 0.923E+00 0.937E+01
RMM: 32 0.193242846539E+03 -0.42217E-01 -0.98039E-01105243 0.773E+00 0.928E+01
RMM: 33 0.193196652847E+03 -0.46194E-01 -0.13221E+00105039 0.732E+00 0.918E+01
RMM: 34 0.193116426650E+03 -0.80226E-01 -0.13618E+00105182 0.671E+00 0.921E+01
RMM: 35 0.193357085256E+03 0.24066E+00 -0.27507E+00104602 0.752E+00 0.847E+01
RMM: 36 0.193415860002E+03 0.58775E-01 -0.29267E+00105033 0.712E+00 0.784E+01
RMM: 37 0.193506051293E+03 0.90191E-01 -0.82388E-01105056 0.686E+00 0.735E+01
RMM: 38 0.193441720425E+03 -0.64331E-01 -0.11617E+00105329 0.640E+00 0.727E+01
RMM: 39 0.193404842881E+03 -0.36878E-01 -0.43069E-01105123 0.602E+00 0.744E+01
RMM: 40 0.193431928791E+03 0.27086E-01 -0.24458E+00104564 0.678E+00 0.656E+01
RMM: 41 0.193399731391E+03 -0.32197E-01 -0.78163E-01105088 0.607E+00 0.637E+01
RMM: 42 0.193317309818E+03 -0.82422E-01 -0.12567E+00105381 0.588E+00 0.628E+01
RMM: 43 0.193271392097E+03 -0.45918E-01 -0.61341E-01105142 0.543E+00 0.635E+01
RMM: 44 0.193230989349E+03 -0.40403E-01 -0.51328E-01105311 0.525E+00 0.640E+01
RMM: 45 0.193260623161E+03 0.29634E-01 -0.46684E-01104485 0.512E+00 0.631E+01
RMM: 46 0.193272159804E+03 0.11537E-01 -0.10927E+00104488 0.560E+00 0.565E+01
RMM: 47 0.193426271567E+03 0.15411E+00 -0.18275E-01103690 0.601E+00 0.468E+01
RMM: 48 0.193384808619E+03 -0.41463E-01 -0.51845E-01104460 0.479E+00 0.482E+01
RMM: 49 0.193414199661E+03 0.29391E-01 -0.20638E-01104816 0.472E+00 0.459E+01
RMM: 50 0.193396405981E+03 -0.17794E-01 -0.39895E-01104894 0.438E+00 0.457E+01
RMM: 51 0.193357317912E+03 -0.39088E-01 -0.25681E-01103371 0.419E+00 0.481E+01
RMM: 52 0.193457023493E+03 0.99706E-01 -0.91042E-01105057 0.672E+00 0.371E+01
RMM: 53 0.193393330659E+03 -0.63693E-01 -0.76590E-01105078 0.484E+00 0.326E+01
RMM: 54 0.193375310016E+03 -0.18021E-01 -0.22095E-01105023 0.473E+00 0.354E+01
RMM: 55 0.193337798239E+03 -0.37512E-01 -0.39349E-01104933 0.426E+00 0.348E+01
RMM: 56 0.193313763428E+03 -0.24035E-01 -0.30293E-01105107 0.415E+00 0.371E+01
RMM: 57 0.193302135910E+03 -0.11628E-01 -0.49307E-01104685 0.449E+00 0.346E+01
RMM: 58 0.193279982163E+03 -0.22154E-01 -0.34975E-01105016 0.407E+00 0.354E+01
RMM: 59 0.193266644485E+03 -0.13338E-01 -0.29384E-01104825 0.398E+00 0.344E+01
RMM: 60 0.193247245745E+03 -0.19399E-01 -0.34143E-01104930 0.393E+00
9 F= 0.19324725E+03 E0= 0.19324945E+03 d E =-.141025E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.158052986705E+04 0.13873E+04 -0.52777E+04 93234 0.122E+03 0.140E+03
RMM: 2 0.105900531973E+04 -0.52152E+03 -0.81746E+03 93592 0.546E+02 0.869E+02
RMM: 3 0.878701320013E+03 -0.18030E+03 -0.23335E+03 92951 0.225E+02 0.775E+02
RMM: 4 0.822085472161E+03 -0.56616E+02 -0.70574E+02 95209 0.112E+02 0.729E+02
RMM: 5 0.823296998462E+03 0.12115E+01 -0.22288E+02 90420 0.650E+01 0.310E+02
RMM: 6 0.820985556477E+03 -0.23114E+01 -0.14253E+02 86757 0.453E+01 0.160E+02
RMM: 7 0.822779246263E+03 0.17937E+01 -0.40730E+01 94899 0.277E+01 0.151E+02
RMM: 8 0.822218090437E+03 -0.56116E+00 -0.25827E+01 90141 0.185E+01 0.990E+01
RMM: 9 0.820613452192E+03 -0.16046E+01 -0.19033E+01 90267 0.125E+01 0.362E+01
RMM: 10 0.819899959863E+03 -0.71349E+00 -0.83231E+00 95417 0.924E+00 0.304E+01
RMM: 11 0.819545212100E+03 -0.35475E+00 -0.56532E+00 86439 0.797E+00 0.229E+01
RMM: 12 0.819307429959E+03 -0.23778E+00 -0.38499E+00 90814 0.551E+00 0.145E+01
RMM: 13 0.819102221662E+03 -0.20521E+00 -0.23220E+00 94270 0.382E+00 0.123E+01
RMM: 14 0.818938698171E+03 -0.16352E+00 -0.16981E+00 96726 0.270E+00 0.878E+00
RMM: 15 0.818833263537E+03 -0.10543E+00 -0.10369E+00 89422 0.232E+00 0.735E+00
RMM: 16 0.818762855301E+03 -0.70408E-01 -0.80997E-01 86265 0.204E+00 0.686E+00
RMM: 17 0.818707795112E+03 -0.55060E-01 -0.54126E-01 79560 0.163E+00 0.236E+00
RMM: 18 0.818669722799E+03 -0.38072E-01 -0.38519E-01 88309 0.112E+00 0.246E+00
RMM: 19 0.818640942009E+03 -0.28781E-01 -0.27971E-01 89100 0.897E-01 0.203E+00
RMM: 20 0.818620685992E+03 -0.20256E-01 -0.19923E-01 88930 0.685E-01 0.190E+00
RMM: 21 0.818603566671E+03 -0.17119E-01 -0.15171E-01 82387 0.614E-01 0.397E+00
RMM: 22 0.818596489787E+03 -0.70769E-02 -0.99668E-02 81900 0.579E-01 0.198E+00
RMM: 23 0.818589506599E+03 -0.69832E-02 -0.75907E-02 82823 0.438E-01 0.166E+00
RMM: 24 0.818584382003E+03 -0.51246E-02 -0.50584E-02 81099 0.343E-01 0.136E+00
RMM: 25 0.818580532877E+03 -0.38491E-02 -0.38224E-02 65658 0.258E-01 0.187E+00
RMM: 26 0.818577962874E+03 -0.25700E-02 -0.25851E-02 60967 0.217E-01 0.172E+00
RMM: 27 0.818576071011E+03 -0.18919E-02 -0.19278E-02 59039 0.178E-01 0.202E+00
RMM: 28 0.818574757404E+03 -0.13136E-02 -0.13133E-02 57080 0.152E-01 0.207E+00
RMM: 29 0.818573891912E+03 -0.86549E-03 -0.96352E-03 62012 0.131E-01 0.212E+00
RMM: 30 0.818573274747E+03 -0.61717E-03 -0.66061E-03 57518 0.111E-01 0.189E+00
RMM: 31 0.818572798156E+03 -0.47659E-03 -0.48302E-03 51817 0.946E-02 0.202E+00
RMM: 32 0.818572464672E+03 -0.33348E-03 -0.33112E-03 49473 0.751E-02 0.198E+00
RMM: 33 0.818572246989E+03 -0.21768E-03 -0.24129E-03 47849 0.627E-02 0.196E+00
RMM: 34 0.818572113000E+03 -0.13399E-03 -0.16655E-03 51314 0.615E-02 0.167E+00
RMM: 35 0.818571999741E+03 -0.11326E-03 -0.12091E-03 46322 0.572E-02 0.159E+00
RMM: 36 0.818571920828E+03 -0.78913E-04 -0.82458E-04 45928 0.503E-02 0.144E+00
RMM: 37 0.818571861920E+03 -0.58908E-04 -0.60306E-04 43029 0.434E-02 0.143E+00
RMM: 38 0.818571821987E+03 -0.39934E-04 -0.41052E-04 42169 0.345E-02 0.135E+00
RMM: 39 0.818571792910E+03 -0.29077E-04 -0.29987E-04 40795 0.289E-02 0.114E+00
RMM: 40 0.818571772405E+03 -0.20505E-04 -0.20443E-04 40870 0.277E-02 0.760E-01
RMM: 41 0.818571757018E+03 -0.15387E-04 -0.15164E-04 40145 0.259E-02 0.683E-01
RMM: 42 0.818571746629E+03 -0.10388E-04 -0.10250E-04 39693 0.224E-02 0.615E-01
RMM: 43 0.818571740603E+03 -0.60268E-05 -0.74851E-05 38675 0.195E-02
10 F= 0.81857174E+03 E0= 0.81857011E+03 d E =0.625324E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.384835555296E+03 -0.43374E+03 -0.12077E+04 77106 0.612E+02 0.178E+03
RMM: 2 0.332549446364E+03 -0.52286E+02 -0.87753E+02 72469 0.223E+02 0.112E+03
RMM: 3 0.251717354654E+03 -0.80832E+02 -0.43791E+02 82759 0.926E+01 0.206E+02
RMM: 4 0.279187230838E+03 0.27470E+02 -0.17954E+02 72029 0.795E+01 0.139E+02
RMM: 5 0.298340930684E+03 0.19154E+02 -0.38692E+01 68435 0.437E+01 0.141E+02
RMM: 6 0.302923528269E+03 0.45826E+01 -0.18674E+01 77920 0.199E+01 0.721E+01
RMM: 7 0.305248860886E+03 0.23253E+01 -0.10056E+01 78551 0.141E+01 0.573E+01
RMM: 8 0.305976220152E+03 0.72736E+00 -0.25336E+00 77885 0.678E+00 0.389E+01
RMM: 9 0.305913481760E+03 -0.62738E-01 -0.15905E+00 75625 0.571E+00 0.299E+01
RMM: 10 0.305769639135E+03 -0.14384E+00 -0.10199E+00 79287 0.402E+00 0.559E+01
RMM: 11 0.306358352904E+03 0.58871E+00 -0.24489E-01 70059 0.235E+00 0.125E+01
RMM: 12 0.306432641690E+03 0.74289E-01 -0.35155E-01 78220 0.230E+00 0.618E+00
RMM: 13 0.306456070080E+03 0.23428E-01 -0.89755E-02 74881 0.135E+00 0.339E+00
RMM: 14 0.306453609142E+03 -0.24609E-02 -0.36388E-02 78370 0.574E-01 0.203E+00
RMM: 15 0.306452774002E+03 -0.83514E-03 -0.18537E-02 81036 0.317E-01 0.160E+00
RMM: 16 0.306452095696E+03 -0.67831E-03 -0.11716E-02 78468 0.186E-01 0.155E+00
RMM: 17 0.306451348616E+03 -0.74708E-03 -0.84389E-03 72599 0.107E-01 0.698E-01
RMM: 18 0.306450396247E+03 -0.95237E-03 -0.74998E-03 63036 0.652E-02 0.349E-01
RMM: 19 0.306449488925E+03 -0.90732E-03 -0.67224E-03 51071 0.465E-02 0.144E-01
RMM: 20 0.306448735340E+03 -0.75358E-03 -0.56650E-03 41427 0.307E-02 0.160E-01
RMM: 21 0.306448114886E+03 -0.62045E-03 -0.48865E-03 36492 0.288E-02 0.684E-02
RMM: 22 0.306447553507E+03 -0.56138E-03 -0.44605E-03 35102 0.173E-02 0.722E-02
RMM: 23 0.306447015472E+03 -0.53804E-03 -0.43369E-03 34398 0.175E-02 0.732E-02
RMM: 24 0.306446502467E+03 -0.51301E-03 -0.41559E-03 33725 0.116E-02 0.986E-02
RMM: 25 0.306446027386E+03 -0.47508E-03 -0.38724E-03 33764 0.121E-02 0.103E-01
RMM: 26 0.306445606398E+03 -0.42099E-03 -0.34620E-03 32837 0.939E-03 0.928E-02
RMM: 27 0.306445237684E+03 -0.36871E-03 -0.30771E-03 31436 0.908E-03 0.111E-01
RMM: 28 0.306444918872E+03 -0.31881E-03 -0.26842E-03 25501 0.672E-03 0.125E-01
RMM: 29 0.306444643455E+03 -0.27542E-03 -0.23568E-03 23582 0.646E-03 0.134E-01
RMM: 30 0.306444404756E+03 -0.23870E-03 -0.20561E-03 21473 0.543E-03 0.146E-01
RMM: 31 0.306444198013E+03 -0.20674E-03 -0.17999E-03 19891 0.519E-03 0.154E-01
RMM: 32 0.306444019205E+03 -0.17881E-03 -0.15637E-03 19843 0.457E-03 0.160E-01
RMM: 33 0.306443864766E+03 -0.15444E-03 -0.13535E-03 21067 0.447E-03 0.166E-01
RMM: 34 0.306443732256E+03 -0.13251E-03 -0.11581E-03 22811 0.438E-03 0.171E-01
RMM: 35 0.306443620809E+03 -0.11145E-03 -0.97196E-04 19269 0.398E-03 0.176E-01
RMM: 36 0.306443527996E+03 -0.92813E-04 -0.81364E-04 20066 0.366E-03 0.176E-01
RMM: 37 0.306443451759E+03 -0.76237E-04 -0.66500E-04 19796 0.361E-03 0.177E-01
RMM: 38 0.306443389582E+03 -0.62177E-04 -0.54724E-04 17727 0.321E-03 0.176E-01
RMM: 39 0.306443338824E+03 -0.50758E-04 -0.43803E-04 15854 0.301E-03 0.182E-01
RMM: 40 0.306443299347E+03 -0.39477E-04 -0.35343E-04 13322 0.264E-03 0.183E-01
RMM: 41 0.306443267034E+03 -0.32313E-04 -0.28604E-04 13407 0.259E-03 0.183E-01
RMM: 42 0.306443240032E+03 -0.27002E-04 -0.23362E-04 12595 0.242E-03 0.186E-01
RMM: 43 0.306443218618E+03 -0.21414E-04 -0.18594E-04 12318 0.235E-03 0.188E-01
RMM: 44 0.306443202054E+03 -0.16564E-04 -0.15042E-04 14494 0.239E-03 0.184E-01
RMM: 45 0.306443188480E+03 -0.13573E-04 -0.11798E-04 13840 0.236E-03 0.184E-01
RMM: 46 0.306443177562E+03 -0.10918E-04 -0.93414E-05 11936 0.219E-03 0.186E-01
RMM: 47 0.306443169778E+03 -0.77838E-05 -0.70921E-05 13357 0.222E-03
11 F= 0.30644317E+03 E0= 0.30643980E+03 d E =-.512129E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.200974526477E+04 0.17033E+04 -0.73071E+04 94971 0.106E+03 0.176E+03
RMM: 2 0.122720184145E+04 -0.78254E+03 -0.11344E+04 91401 0.699E+02 0.922E+02
RMM: 3 0.885525513613E+03 -0.34168E+03 -0.35674E+03 91830 0.277E+02 0.751E+02
RMM: 4 0.772297946697E+03 -0.11323E+03 -0.13319E+03 86558 0.170E+02 0.461E+02
RMM: 5 0.736258476945E+03 -0.36039E+02 -0.59570E+02 86824 0.871E+01 0.199E+02
RMM: 6 0.717035272152E+03 -0.19223E+02 -0.26609E+02 86943 0.449E+01 0.973E+01
RMM: 7 0.706398981244E+03 -0.10636E+02 -0.11154E+02 88744 0.235E+01 0.797E+01
RMM: 8 0.702779916818E+03 -0.36191E+01 -0.43366E+01 84640 0.178E+01 0.343E+01
RMM: 9 0.700049081498E+03 -0.27308E+01 -0.26194E+01 76680 0.122E+01 0.476E+01
RMM: 10 0.699092321095E+03 -0.95676E+00 -0.11671E+01 84396 0.737E+00 0.384E+01
RMM: 11 0.698436524723E+03 -0.65580E+00 -0.70941E+00 87628 0.435E+00 0.372E+01
RMM: 12 0.698103512600E+03 -0.33301E+00 -0.39498E+00 86651 0.349E+00 0.303E+01
RMM: 13 0.697918569242E+03 -0.18494E+00 -0.27582E+00 82863 0.303E+00 0.138E+01
RMM: 14 0.697750415856E+03 -0.16815E+00 -0.18033E+00 82413 0.287E+00 0.955E+00
RMM: 15 0.697646718474E+03 -0.10370E+00 -0.11404E+00 83024 0.180E+00 0.946E+00
RMM: 16 0.697569982671E+03 -0.76736E-01 -0.80726E-01 78111 0.139E+00 0.363E+00
RMM: 17 0.697515842758E+03 -0.54140E-01 -0.52920E-01 83451 0.925E-01 0.364E+00
RMM: 18 0.697478166936E+03 -0.37676E-01 -0.38231E-01 83609 0.710E-01 0.347E+00
RMM: 19 0.697449156499E+03 -0.29010E-01 -0.26041E-01 86710 0.100E+00 0.670E+00
RMM: 20 0.697434839235E+03 -0.14317E-01 -0.19327E-01 73151 0.673E-01 0.263E+00
RMM: 21 0.697421897950E+03 -0.12941E-01 -0.13050E-01 74480 0.503E-01 0.162E+00
RMM: 22 0.697412371772E+03 -0.95262E-02 -0.93051E-02 82673 0.340E-01 0.193E+00
RMM: 23 0.697405947271E+03 -0.64245E-02 -0.62854E-02 58432 0.234E-01 0.220E+00
RMM: 24 0.697400911430E+03 -0.50358E-02 -0.46821E-02 62036 0.195E-01 0.274E+00
RMM: 25 0.697399001876E+03 -0.19096E-02 -0.31028E-02 96804 0.324E-01 0.931E-01
RMM: 26 0.697396786448E+03 -0.22154E-02 -0.22233E-02 61694 0.138E-01 0.841E-01
RMM: 27 0.697395333096E+03 -0.14534E-02 -0.13860E-02 55897 0.120E-01 0.976E-01
RMM: 28 0.697394328580E+03 -0.10045E-02 -0.10501E-02 46611 0.926E-02 0.723E-01
RMM: 29 0.697393699646E+03 -0.62893E-03 -0.68294E-03 56136 0.862E-02 0.308E-01
RMM: 30 0.697393208998E+03 -0.49065E-03 -0.49126E-03 44041 0.677E-02 0.243E-01
RMM: 31 0.697392892610E+03 -0.31639E-03 -0.32223E-03 44023 0.536E-02 0.228E-01
RMM: 32 0.697392672187E+03 -0.22042E-03 -0.22653E-03 42633 0.501E-02 0.189E-01
RMM: 33 0.697392532289E+03 -0.13990E-03 -0.14605E-03 41948 0.306E-02 0.135E-01
RMM: 34 0.697392430708E+03 -0.10158E-03 -0.10326E-03 41223 0.271E-02 0.140E-01
RMM: 35 0.697392368824E+03 -0.61885E-04 -0.65606E-04 40482 0.230E-02 0.784E-02
RMM: 36 0.697392323971E+03 -0.44852E-04 -0.45855E-04 39788 0.205E-02 0.592E-02
RMM: 37 0.697392295625E+03 -0.28346E-04 -0.29320E-04 38866 0.168E-02 0.465E-02
RMM: 38 0.697392276134E+03 -0.19491E-04 -0.20104E-04 35476 0.123E-02 0.362E-02
RMM: 39 0.697392263630E+03 -0.12504E-04 -0.12841E-04 34243 0.104E-02 0.403E-02
RMM: 40 0.697392255226E+03 -0.84038E-05 -0.86480E-05 23135 0.779E-03
12 F= 0.69739226E+03 E0= 0.69739320E+03 d E =0.390949E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.278978219392E+04 0.20924E+04 -0.53278E+04 94563 0.138E+03 0.214E+03
RMM: 2 0.231216587464E+04 -0.47762E+03 -0.73275E+03 93932 0.585E+02 0.131E+03
RMM: 3 0.211024546657E+04 -0.20192E+03 -0.24448E+03 92126 0.247E+02 0.824E+02
RMM: 4 0.206461316077E+04 -0.45632E+02 -0.66791E+02 97263 0.123E+02 0.733E+02
RMM: 5 0.205956558246E+04 -0.50476E+01 -0.23909E+02 96705 0.640E+01 0.407E+02
RMM: 6 0.205564121701E+04 -0.39244E+01 -0.12210E+02 85699 0.493E+01 0.196E+02
RMM: 7 0.205573593098E+04 0.94714E-01 -0.49301E+01 91554 0.340E+01 0.140E+02
RMM: 8 0.205049610275E+04 -0.52398E+01 -0.49049E+01 93535 0.180E+01 0.134E+02
RMM: 9 0.204826647683E+04 -0.22296E+01 -0.23342E+01 96077 0.146E+01 0.133E+02
RMM: 10 0.205040641933E+04 0.21399E+01 -0.11159E+01 87676 0.148E+01 0.440E+01
RMM: 11 0.204922158389E+04 -0.11848E+01 -0.10982E+01 87223 0.105E+01 0.414E+01
RMM: 12 0.204941869229E+04 0.19711E+00 -0.41497E+00 94716 0.755E+00 0.252E+01
RMM: 13 0.204907349037E+04 -0.34520E+00 -0.40191E+00 89045 0.558E+00 0.293E+01
RMM: 14 0.204897279623E+04 -0.10069E+00 -0.21817E+00 93584 0.431E+00 0.140E+01
RMM: 15 0.204876379823E+04 -0.20900E+00 -0.19040E+00 90859 0.307E+00 0.147E+01
RMM: 16 0.204867516267E+04 -0.88636E-01 -0.11599E+00 90315 0.235E+00 0.120E+01
RMM: 17 0.204858892189E+04 -0.86241E-01 -0.94541E-01 87279 0.193E+00 0.646E+00
RMM: 18 0.204853192905E+04 -0.56993E-01 -0.64671E-01 89939 0.165E+00 0.656E+00
RMM: 19 0.204847343536E+04 -0.58494E-01 -0.55033E-01 79894 0.135E+00 0.114E+01
RMM: 20 0.204843352352E+04 -0.39912E-01 -0.38721E-01 92030 0.101E+00 0.136E+01
RMM: 21 0.204840289142E+04 -0.30632E-01 -0.31241E-01 90043 0.789E-01 0.147E+01
RMM: 22 0.204838077072E+04 -0.22121E-01 -0.22678E-01 80394 0.663E-01 0.144E+01
RMM: 23 0.204836016033E+04 -0.20610E-01 -0.18007E-01 82337 0.600E-01 0.157E+01
RMM: 24 0.204835425093E+04 -0.59094E-02 -0.13039E-01 90336 0.600E-01 0.104E+01
RMM: 25 0.204834552816E+04 -0.87228E-02 -0.10033E-01 87543 0.447E-01 0.944E+00
RMM: 26 0.204833803213E+04 -0.74960E-02 -0.73440E-02 79531 0.359E-01 0.957E+00
RMM: 27 0.204833240517E+04 -0.56270E-02 -0.56177E-02 67762 0.284E-01 0.103E+01
RMM: 28 0.204832927278E+04 -0.31324E-02 -0.40249E-02 84914 0.278E-01 0.944E+00
RMM: 29 0.204832541277E+04 -0.38600E-02 -0.31598E-02 63279 0.222E-01 0.105E+01
RMM: 30 0.204832286099E+04 -0.25518E-02 -0.22153E-02 60593 0.171E-01 0.110E+01
RMM: 31 0.204832128532E+04 -0.15757E-02 -0.17104E-02 50915 0.141E-01 0.112E+01
RMM: 32 0.204831945694E+04 -0.18284E-02 -0.12218E-02 67311 0.147E-01 0.121E+01
RMM: 33 0.204831614948E+04 -0.33075E-02 -0.10677E-02 97176 0.212E-01 0.151E+01
RMM: 34 0.204831578417E+04 -0.36532E-03 -0.64803E-03 63768 0.114E-01 0.152E+01
RMM: 35 0.204831524453E+04 -0.53963E-03 -0.52323E-03 50360 0.837E-02 0.154E+01
RMM: 36 0.204831480968E+04 -0.43485E-03 -0.34439E-03 46259 0.678E-02 0.155E+01
RMM: 37 0.204831452916E+04 -0.28053E-03 -0.28644E-03 44733 0.575E-02 0.156E+01
RMM: 38 0.204831442455E+04 -0.10460E-03 -0.18099E-03 43769 0.453E-02 0.156E+01
RMM: 39 0.204831537980E+04 0.95525E-03 -0.14754E-03 59651 0.679E-02 0.142E+01
RMM: 40 0.204831584717E+04 0.46736E-03 -0.97838E-04 58752 0.681E-02 0.134E+01
RMM: 41 0.204831739282E+04 0.15457E-02 -0.11006E-03 82376 0.105E-01 0.106E+01
RMM: 42 0.204831835169E+04 0.95887E-03 -0.80057E-04 85449 0.103E-01 0.870E+00
RMM: 43 0.204831897349E+04 0.62180E-03 -0.63086E-04 82279 0.907E-02 0.698E+00
RMM: 44 0.204831911129E+04 0.13781E-03 -0.35652E-04 64611 0.640E-02 0.607E+00
RMM: 45 0.204831890429E+04 -0.20701E-03 -0.21093E-04 47049 0.477E-02 0.621E+00
RMM: 46 0.204831874045E+04 -0.16384E-03 -0.16080E-04 45313 0.396E-02 0.623E+00
RMM: 47 0.204831805054E+04 -0.68991E-03 -0.30234E-04 75536 0.746E-02 0.741E+00
RMM: 48 0.204831816756E+04 0.11702E-03 -0.87921E-05 42532 0.500E-02 0.727E+00
RMM: 49 0.204831824420E+04 0.76641E-04 -0.77704E-05 43778 0.377E-02 0.705E+00
RMM: 50 0.204831809938E+04 -0.14482E-03 -0.48597E-05 38803 0.332E-02 0.745E+00
RMM: 51 0.204831828026E+04 0.18088E-03 -0.35592E-05 37803 0.327E-02 0.698E+00
RMM: 52 0.204831845890E+04 0.17863E-03 -0.34023E-05 38305 0.281E-02 0.645E+00
RMM: 53 0.204831854531E+04 0.86413E-04 -0.25046E-05 37505 0.280E-02 0.616E+00
RMM: 54 0.204831856951E+04 0.24200E-04 -0.15860E-05 35827 0.231E-02 0.608E+00
RMM: 55 0.204831870897E+04 0.13947E-03 -0.26040E-05 37872 0.268E-02 0.557E+00
RMM: 56 0.204831884064E+04 0.13167E-03 -0.29838E-05 40069 0.315E-02 0.501E+00
RMM: 57 0.204831879472E+04 -0.45921E-04 -0.12584E-05 34995 0.297E-02 0.518E+00
RMM: 58 0.204831886574E+04 0.71015E-04 -0.12336E-05 35368 0.194E-02 0.497E+00
RMM: 59 0.204831900363E+04 0.13789E-03 -0.27444E-05 40053 0.287E-02 0.458E+00
RMM: 60 0.204831931900E+04 0.31537E-03 -0.16759E-04 72122 0.571E-02
13 F= 0.20483193E+04 E0= 0.20483247E+04 d E =0.135093E+04
N E dE d eps ncg rms rms(c)
DAV: 1 0.421103241827E+03 -0.16272E+04 -0.22886E+04 80763 0.974E+02 0.242E+03
RMM: 2 0.379973529677E+03 -0.41130E+02 -0.20041E+03 88469 0.306E+02 0.150E+03
RMM: 3 0.312936143305E+03 -0.67037E+02 -0.82390E+02 98947 0.145E+02 0.212E+02
RMM: 4 0.326839332293E+03 0.13903E+02 -0.23016E+02 95089 0.101E+02 0.148E+02
RMM: 5 0.323017354987E+03 -0.38220E+01 -0.12580E+02 98677 0.552E+01 0.127E+02
RMM: 6 0.316531996174E+03 -0.64854E+01 -0.11938E+02 95564 0.433E+01 0.116E+02
RMM: 7 0.306297910531E+03 -0.10234E+02 -0.11480E+02 96627 0.348E+01 0.985E+01
RMM: 8 0.300559667526E+03 -0.57382E+01 -0.10428E+02 94506 0.289E+01 0.782E+01
RMM: 9 0.291958498641E+03 -0.86012E+01 -0.97762E+01 94384 0.232E+01 0.636E+01
RMM: 10 0.285078446382E+03 -0.68801E+01 -0.88168E+01 93669 0.210E+01 0.384E+01
RMM: 11 0.277613444785E+03 -0.74650E+01 -0.78571E+01 93885 0.169E+01 0.548E+01
RMM: 12 0.271098834403E+03 -0.65146E+01 -0.65833E+01 94406 0.135E+01 0.445E+01
RMM: 13 0.265053245945E+03 -0.60456E+01 -0.56248E+01 95352 0.105E+01 0.515E+01
RMM: 14 0.257000912218E+03 -0.80523E+01 -0.55099E+01 85579 0.123E+01 0.935E+01
RMM: 15 0.251864308986E+03 -0.51366E+01 -0.47344E+01 93107 0.882E+00 0.119E+02
RMM: 16 0.247049247692E+03 -0.48151E+01 -0.39709E+01 91226 0.745E+00 0.150E+02
RMM: 17 0.243348466328E+03 -0.37008E+01 -0.33243E+01 93256 0.590E+00 0.177E+02
RMM: 18 0.241843592887E+03 -0.15049E+01 -0.25707E+01 83879 0.534E+00 0.188E+02
RMM: 19 0.243405977863E+03 0.15624E+01 -0.17472E+01 91662 0.625E+00 0.179E+02
RMM: 20 0.245316222358E+03 0.19102E+01 -0.12132E+01 93510 0.535E+00 0.159E+02
RMM: 21 0.244351814485E+03 -0.96441E+00 -0.76892E+00 86772 0.261E+00 0.165E+02
RMM: 22 0.244138330814E+03 -0.21348E+00 -0.44632E+00 84716 0.207E+00 0.162E+02
RMM: 23 0.241987306832E+03 -0.21510E+01 -0.41340E+00 89528 0.319E+00 0.192E+02
RMM: 24 0.239666756111E+03 -0.23206E+01 -0.38438E+00 92234 0.290E+00 0.226E+02
RMM: 25 0.239808414775E+03 0.14166E+00 -0.17412E+00 79777 0.137E+00 0.233E+02
RMM: 26 0.244567344778E+03 0.47589E+01 -0.21286E+00101313 0.503E+00 0.176E+02
RMM: 27 0.247680263285E+03 0.31129E+01 -0.38729E+00103529 0.513E+00 0.983E+01
RMM: 28 0.247510927170E+03 -0.16934E+00 -0.87379E-01 91942 0.132E+00 0.950E+01
RMM: 29 0.247537453781E+03 0.26527E-01 -0.46147E-01 95586 0.184E+00 0.885E+01
RMM: 30 0.238433205898E+03 -0.91042E+01 -0.10745E+01106121 0.121E+01 0.229E+02
RMM: 31 0.242773622051E+03 0.43404E+01 -0.12212E+00103519 0.493E+00 0.202E+02
RMM: 32 0.237534086083E+03 -0.52395E+01 -0.30304E+00103656 0.553E+00 0.272E+02
RMM: 33 0.237651117205E+03 0.11703E+00 -0.83933E-01 93395 0.173E+00 0.283E+02
RMM: 34 0.238998682914E+03 0.13476E+01 -0.20585E-01 83750 0.123E+00 0.277E+02
RMM: 35 0.238952287286E+03 -0.46396E-01 -0.91621E-02 85337 0.375E-01 0.279E+02
RMM: 36 0.239285338410E+03 0.33305E+00 -0.48882E-02 79775 0.394E-01 0.277E+02
RMM: 37 0.240164334626E+03 0.87900E+00 -0.60462E-02 92484 0.776E-01 0.266E+02
RMM: 38 0.239851801107E+03 -0.31253E+00 -0.30553E-02 80993 0.499E-01 0.269E+02
RMM: 39 0.242229003004E+03 0.23772E+01 -0.34662E-01103698 0.237E+00 0.232E+02
RMM: 40 0.242270585685E+03 0.41583E-01 -0.47176E-02 90869 0.507E-01 0.231E+02
RMM: 41 0.242190227571E+03 -0.80358E-01 -0.94444E-03 79675 0.289E-01 0.232E+02
RMM: 42 0.242911524231E+03 0.72130E+00 -0.47420E-02 97086 0.802E-01 0.218E+02
RMM: 43 0.243215120051E+03 0.30360E+00 -0.23826E-02 90569 0.491E-01 0.214E+02
RMM: 44 0.244084769324E+03 0.86965E+00 -0.84753E-02100990 0.108E+00 0.196E+02
RMM: 45 0.244112642856E+03 0.27874E-01 -0.15475E-02 88573 0.410E-01 0.196E+02
RMM: 46 0.246125760860E+03 0.20131E+01 -0.47462E-01105100 0.272E+00 0.145E+02
RMM: 47 0.245891316908E+03 -0.23444E+00 -0.40612E-02 95450 0.701E-01 0.150E+02
RMM: 48 0.246443196207E+03 0.55188E+00 -0.84959E-02102007 0.111E+00 0.131E+02
RMM: 49 0.247367479487E+03 0.92428E+00 -0.22490E-01104030 0.175E+00 0.981E+01
RMM: 50 0.247375991654E+03 0.85122E-02 -0.24306E-02 90123 0.333E-01 0.963E+01
RMM: 51 0.247320470944E+03 -0.55521E-01 -0.31124E-03 75127 0.159E-01 0.977E+01
RMM: 52 0.246942478563E+03 -0.37799E+00 -0.30139E-02102434 0.744E-01 0.111E+02
RMM: 53 0.247088202043E+03 0.14572E+00 -0.30930E-03 81691 0.275E-01 0.106E+02
RMM: 54 0.247074667350E+03 -0.13535E-01 -0.15262E-04 57818 0.735E-02 0.106E+02
RMM: 55 0.247026012442E+03 -0.48655E-01 -0.68518E-04 77540 0.120E-01 0.108E+02
RMM: 56 0.247272979023E+03 0.24697E+00 -0.13878E-02104083 0.495E-01 0.101E+02
RMM: 57 0.246354020672E+03 -0.91896E+00 -0.10792E+01106304 0.136E+01 0.126E+02
RMM: 58 0.246676159440E+03 0.32214E+00 -0.49651E-01106088 0.210E+00 0.120E+02
RMM: 59 0.246635422830E+03 -0.40737E-01 -0.74666E-02101406 0.585E-01 0.121E+02
RMM: 60 0.246613432952E+03 -0.21990E-01 -0.13250E-02 97072 0.322E-01
14 F= 0.24661343E+03 E0= 0.24661044E+03 d E =-.180171E+04
N E dE d eps ncg rms rms(c)
DAV: 1 0.118776704019E+04 0.94113E+03 -0.60389E+04 98856 0.108E+03 0.141E+03
RMM: 2 0.561407434338E+03 -0.62636E+03 -0.77004E+03 79789 0.592E+02 0.851E+02
RMM: 3 0.317044582379E+03 -0.24436E+03 -0.25891E+03 86502 0.210E+02 0.561E+02
RMM: 4 0.271872169752E+03 -0.45172E+02 -0.79404E+02 82065 0.122E+02 0.368E+02
RMM: 5 0.263197452339E+03 -0.86747E+01 -0.27163E+02 81879 0.715E+01 0.105E+02
RMM: 6 0.257907446048E+03 -0.52900E+01 -0.10412E+02 85617 0.299E+01 0.560E+01
RMM: 7 0.253330773867E+03 -0.45767E+01 -0.44645E+01 87642 0.149E+01 0.502E+01
RMM: 8 0.251653876965E+03 -0.16769E+01 -0.16640E+01 84322 0.920E+00 0.219E+01
RMM: 9 0.250628578916E+03 -0.10253E+01 -0.80855E+00 87862 0.522E+00 0.159E+01
RMM: 10 0.250002742201E+03 -0.62584E+00 -0.48779E+00 79985 0.471E+00 0.132E+01
RMM: 11 0.249834054825E+03 -0.16869E+00 -0.23642E+00 77429 0.279E+00 0.904E+00
RMM: 12 0.249698874814E+03 -0.13518E+00 -0.13623E+00 81446 0.157E+00 0.653E+00
RMM: 13 0.249595664945E+03 -0.10321E+00 -0.72842E-01 83709 0.121E+00 0.396E+00
RMM: 14 0.249545791171E+03 -0.49874E-01 -0.46568E-01 79946 0.985E-01 0.327E+00
RMM: 15 0.249508034108E+03 -0.37757E-01 -0.29146E-01 83210 0.640E-01 0.104E+00
RMM: 16 0.249482480457E+03 -0.25554E-01 -0.18761E-01 83936 0.372E-01 0.121E+00
RMM: 17 0.249466744815E+03 -0.15736E-01 -0.12061E-01 81525 0.256E-01 0.834E-01
RMM: 18 0.249456635325E+03 -0.10109E-01 -0.75482E-02 74212 0.195E-01 0.114E+00
RMM: 19 0.249450986819E+03 -0.56485E-02 -0.47385E-02 74825 0.160E-01 0.707E-01
RMM: 20 0.249447072502E+03 -0.39143E-02 -0.30036E-02 76669 0.164E-01 0.120E+00
RMM: 21 0.249445394798E+03 -0.16777E-02 -0.18259E-02 86829 0.206E-01 0.646E-01
RMM: 22 0.249444343391E+03 -0.10514E-02 -0.10866E-02 65052 0.111E-01 0.248E-01
RMM: 23 0.249443723976E+03 -0.61941E-03 -0.58954E-03 50291 0.541E-02 0.299E-01
RMM: 24 0.249443484304E+03 -0.23967E-03 -0.29825E-03 41586 0.496E-02 0.173E-01
RMM: 25 0.249443385662E+03 -0.98642E-04 -0.14589E-03 38971 0.342E-02 0.100E-01
RMM: 26 0.249443372681E+03 -0.12981E-04 -0.61608E-04 38124 0.289E-02 0.114E-01
RMM: 27 0.249443396389E+03 0.23708E-04 -0.17961E-04 37733 0.247E-02 0.672E-02
RMM: 28 0.249443425266E+03 0.28877E-04 0.26597E-06 37304 0.182E-02 0.520E-02
RMM: 29 0.249443445728E+03 0.20462E-04 0.55201E-05 36336 0.111E-02 0.412E-02
RMM: 30 0.249443468274E+03 0.22546E-04 0.96667E-05 35882 0.103E-02 0.353E-02
RMM: 31 0.249443488553E+03 0.20279E-04 0.93451E-05 32654 0.741E-03 0.227E-02
RMM: 32 0.249443500708E+03 0.12155E-04 0.66235E-05 31616 0.771E-03 0.166E-02
RMM: 33 0.249443511081E+03 0.10373E-04 0.60083E-05 23111 0.496E-03 0.136E-02
RMM: 34 0.249443517544E+03 0.64630E-05 0.38702E-05 21974 0.524E-03
15 F= 0.24944352E+03 E0= 0.24944864E+03 d E =0.283008E+01
N E dE d eps ncg rms rms(c)
DAV: 1 0.102255803656E+04 0.77311E+03 -0.48616E+04 97677 0.118E+03 0.155E+03
RMM: 2 0.605478437209E+03 -0.41708E+03 -0.62215E+03 90612 0.509E+02 0.107E+03
RMM: 3 0.395668547022E+03 -0.20981E+03 -0.21140E+03 99444 0.218E+02 0.379E+02
RMM: 4 0.326963920897E+03 -0.68705E+02 -0.94403E+02 93554 0.142E+02 0.183E+02
RMM: 5 0.290992878126E+03 -0.35971E+02 -0.53434E+02 95131 0.698E+01 0.152E+02
RMM: 6 0.274848644079E+03 -0.16144E+02 -0.29998E+02 89890 0.463E+01 0.117E+02
RMM: 7 0.267600496951E+03 -0.72481E+01 -0.13755E+02 85101 0.296E+01 0.989E+01
RMM: 8 0.260610426869E+03 -0.69901E+01 -0.73011E+01 80735 0.184E+01 0.848E+01
RMM: 9 0.259328709954E+03 -0.12817E+01 -0.26276E+01 84042 0.102E+01 0.577E+01
RMM: 10 0.257232540147E+03 -0.20962E+01 -0.16649E+01 77845 0.102E+01 0.482E+01
RMM: 11 0.258059086980E+03 0.82655E+00 -0.57637E+00 80876 0.627E+00 0.348E+01
RMM: 12 0.257655703228E+03 -0.40338E+00 -0.30775E+00 85271 0.333E+00 0.341E+01
RMM: 13 0.257861482966E+03 0.20578E+00 -0.18244E+00 76789 0.267E+00 0.246E+01
RMM: 14 0.257784988478E+03 -0.76494E-01 -0.11464E+00 80589 0.155E+00 0.191E+01
RMM: 15 0.257611996857E+03 -0.17299E+00 -0.61736E-01 75688 0.204E+00 0.165E+01
RMM: 16 0.257682076267E+03 0.70079E-01 -0.37245E-01 74938 0.148E+00 0.908E+00
RMM: 17 0.257701995424E+03 0.19919E-01 -0.41376E-01 80802 0.144E+00 0.258E+00
RMM: 18 0.257675337538E+03 -0.26658E-01 -0.22332E-01 83785 0.773E-01 0.307E+00
RMM: 19 0.257667446338E+03 -0.78912E-02 -0.97733E-02 76514 0.450E-01 0.219E+00
RMM: 20 0.257662275321E+03 -0.51710E-02 -0.61053E-02 77775 0.355E-01 0.833E-01
RMM: 21 0.257657857328E+03 -0.44180E-02 -0.39025E-02 83629 0.196E-01 0.100E+00
RMM: 22 0.257654885773E+03 -0.29716E-02 -0.24338E-02 71271 0.115E-01 0.103E+00
RMM: 23 0.257653411116E+03 -0.14747E-02 -0.15095E-02 61093 0.853E-02 0.920E-01
RMM: 24 0.257652407892E+03 -0.10032E-02 -0.94268E-03 50494 0.591E-02 0.927E-01
RMM: 25 0.257651687996E+03 -0.71990E-03 -0.61060E-03 41731 0.527E-02 0.102E+00
RMM: 26 0.257651752060E+03 0.64064E-04 -0.48310E-03 97258 0.168E-01 0.281E-01
RMM: 27 0.257651559157E+03 -0.19290E-03 -0.23281E-03 56272 0.596E-02 0.135E-01
RMM: 28 0.257651407982E+03 -0.15118E-03 -0.13605E-03 40628 0.331E-02 0.115E-01
RMM: 29 0.257651321149E+03 -0.86833E-04 -0.86222E-04 38454 0.272E-02 0.756E-02
RMM: 30 0.257651268263E+03 -0.52886E-04 -0.51264E-04 37741 0.214E-02 0.758E-02
RMM: 31 0.257651237698E+03 -0.30565E-04 -0.30271E-04 37062 0.193E-02 0.746E-02
RMM: 32 0.257651224578E+03 -0.13121E-04 -0.17257E-04 36846 0.196E-02 0.282E-02
RMM: 33 0.257651214316E+03 -0.10261E-04 -0.10873E-04 36354 0.153E-02 0.255E-02
RMM: 34 0.257651208254E+03 -0.60620E-05 -0.62095E-05 35493 0.129E-02
16 F= 0.25765121E+03 E0= 0.25765207E+03 d E =0.820769E+01
N E dE d eps ncg rms rms(c)
DAV: 1 0.205750144805E+03 -0.51901E+02 -0.14368E+04 74019 0.756E+02 0.111E+03
RMM: 2 0.128102134374E+03 -0.77648E+02 -0.14365E+03 92599 0.243E+02 0.725E+02
RMM: 3 0.343645515189E+02 -0.93738E+02 -0.62500E+02 99058 0.115E+02 0.226E+02
RMM: 4 0.541070843312E+02 0.19743E+02 -0.34229E+02 85739 0.943E+01 0.130E+02
RMM: 5 0.615611729509E+02 0.74541E+01 -0.14569E+02 85146 0.509E+01 0.146E+02
RMM: 6 0.566562613341E+02 -0.49049E+01 -0.78126E+01 90294 0.212E+01 0.142E+02
RMM: 7 0.531263232423E+02 -0.35299E+01 -0.40380E+01 88421 0.134E+01 0.137E+02
RMM: 8 0.535622090165E+02 0.43589E+00 -0.22932E+01 84223 0.108E+01 0.963E+01
RMM: 9 0.536409616292E+02 0.78753E-01 -0.20262E+01 83604 0.163E+01 0.909E+01
RMM: 10 0.530434646243E+02 -0.59750E+00 -0.81531E+00 82740 0.907E+00 0.105E+02
RMM: 11 0.535207202249E+02 0.47726E+00 -0.27073E+00 76101 0.593E+00 0.745E+01
RMM: 12 0.545058798613E+02 0.98516E+00 -0.74485E+00 85641 0.115E+01 0.237E+01
RMM: 13 0.546479830950E+02 0.14210E+00 -0.92698E-01 65234 0.454E+00 0.141E+01
RMM: 14 0.546473040837E+02 -0.67901E-03 -0.76037E-01 80563 0.242E+00 0.199E+01
RMM: 15 0.546669730839E+02 0.19669E-01 -0.28038E-01 84729 0.117E+00 0.175E+01
RMM: 16 0.547064707277E+02 0.39498E-01 -0.11721E-01 80500 0.813E-01 0.114E+01
RMM: 17 0.547336395418E+02 0.27169E-01 -0.13311E-01 83257 0.130E+00 0.971E-01
RMM: 18 0.547295825399E+02 -0.40570E-02 -0.28970E-02 66915 0.599E-01 0.275E+00
RMM: 19 0.547298062312E+02 0.22369E-03 -0.14668E-02 78752 0.299E-01 0.130E+00
RMM: 20 0.547293166835E+02 -0.48955E-03 -0.86943E-03 79894 0.168E-01 0.463E-01
RMM: 21 0.547286431957E+02 -0.67349E-03 -0.43226E-03 69589 0.166E-01 0.913E-01
RMM: 22 0.547285920656E+02 -0.51130E-04 -0.20875E-03 65466 0.852E-02 0.415E-01
RMM: 23 0.547285394880E+02 -0.52578E-04 -0.10733E-03 69188 0.654E-02 0.119E-01
RMM: 24 0.547284885789E+02 -0.50909E-04 -0.45881E-04 45681 0.363E-02 0.625E-02
RMM: 25 0.547284580381E+02 -0.30541E-04 -0.23607E-04 37766 0.336E-02 0.134E-01
RMM: 26 0.547284564355E+02 -0.16025E-05 -0.96568E-05 36035 0.229E-02
17 F= 0.54728456E+02 E0= 0.54731118E+02 d E =-.202923E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.105788434164E+04 0.10032E+04 -0.49778E+04 92316 0.113E+03 0.147E+03
RMM: 2 0.682819431772E+03 -0.37506E+03 -0.65570E+03 94011 0.512E+02 0.853E+02
RMM: 3 0.451706120075E+03 -0.23111E+03 -0.23996E+03100304 0.233E+02 0.454E+02
RMM: 4 0.371228701625E+03 -0.80477E+02 -0.96252E+02 97094 0.146E+02 0.283E+02
RMM: 5 0.342529538746E+03 -0.28699E+02 -0.55654E+02 93131 0.865E+01 0.222E+02
RMM: 6 0.329267838023E+03 -0.13262E+02 -0.32112E+02 89776 0.600E+01 0.927E+01
RMM: 7 0.312523704809E+03 -0.16744E+02 -0.16959E+02 91436 0.281E+01 0.989E+01
RMM: 8 0.305463925399E+03 -0.70598E+01 -0.80787E+01 89186 0.169E+01 0.113E+02
RMM: 9 0.296936668780E+03 -0.85273E+01 -0.45427E+01 81192 0.125E+01 0.175E+02
RMM: 10 0.301293421479E+03 0.43568E+01 -0.25483E+01 77444 0.186E+01 0.856E+01
RMM: 11 0.301610095295E+03 0.31667E+00 -0.32887E+01 83451 0.194E+01 0.105E+02
RMM: 12 0.304148797847E+03 0.25387E+01 -0.49883E+00 72979 0.994E+00 0.646E+01
RMM: 13 0.304398058311E+03 0.24926E+00 -0.26640E+00 73747 0.658E+00 0.333E+01
RMM: 14 0.304489938740E+03 0.91880E-01 -0.11007E+00 81662 0.271E+00 0.303E+01
RMM: 15 0.304559230983E+03 0.69292E-01 -0.52206E-01 82311 0.160E+00 0.204E+01
RMM: 16 0.304647156058E+03 0.87925E-01 -0.36902E-01 79797 0.196E+00 0.909E+00
RMM: 17 0.304651007508E+03 0.38515E-02 -0.28675E-01 81005 0.160E+00 0.739E+00
RMM: 18 0.304657596884E+03 0.65894E-02 -0.80661E-02 75305 0.759E-01 0.589E+00
RMM: 19 0.304654248750E+03 -0.33481E-02 -0.36003E-02 79623 0.433E-01 0.505E+00
RMM: 20 0.304657052444E+03 0.28037E-02 -0.15036E-02 76689 0.302E-01 0.334E+00
RMM: 21 0.304657804214E+03 0.75177E-03 -0.73282E-03 77348 0.218E-01 0.268E+00
RMM: 22 0.304658291447E+03 0.48723E-03 -0.55702E-03 78598 0.238E-01 0.173E+00
RMM: 23 0.304657926320E+03 -0.36513E-03 -0.28837E-03 78321 0.137E-01 0.212E+00
RMM: 24 0.304658183224E+03 0.25690E-03 -0.81463E-04 64398 0.778E-02 0.789E-01
RMM: 25 0.304658228493E+03 0.45269E-04 -0.36465E-04 62751 0.563E-02 0.552E-01
RMM: 26 0.304658239089E+03 0.10596E-04 -0.27520E-04 65363 0.665E-02 0.253E-01
RMM: 27 0.304658243496E+03 0.44064E-05 -0.46227E-05 38688 0.264E-02
18 F= 0.30465824E+03 E0= 0.30466418E+03 d E =0.249930E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.395382595714E+03 0.90724E+02 -0.28375E+04 89070 0.974E+02 0.155E+03
RMM: 2 0.205586035008E+03 -0.18980E+03 -0.26403E+03 85666 0.327E+02 0.104E+03
RMM: 3 0.140439567838E+03 -0.65146E+02 -0.79924E+02 88797 0.127E+02 0.314E+02
RMM: 4 0.127340539005E+03 -0.13099E+02 -0.31440E+02 80531 0.728E+01 0.197E+02
RMM: 5 0.132926003778E+03 0.55855E+01 -0.99407E+01 75798 0.434E+01 0.123E+02
RMM: 6 0.131919458061E+03 -0.10065E+01 -0.69390E+01 77982 0.340E+01 0.120E+02
RMM: 7 0.139250080574E+03 0.73306E+01 -0.17628E+01 70898 0.249E+01 0.741E+01
RMM: 8 0.141522396066E+03 0.22723E+01 -0.10301E+01 72247 0.157E+01 0.564E+01
RMM: 9 0.141076815799E+03 -0.44558E+00 -0.51600E+00 80450 0.601E+00 0.475E+01
RMM: 10 0.140752445192E+03 -0.32437E+00 -0.28096E+00 77202 0.674E+00 0.199E+01
RMM: 11 0.141486958775E+03 0.73451E+00 -0.14910E+00 71205 0.546E+00 0.118E+01
RMM: 12 0.141494625449E+03 0.76667E-02 -0.86700E-01 78297 0.312E+00 0.133E+01
RMM: 13 0.141495972356E+03 0.13469E-02 -0.36672E-01 77880 0.203E+00 0.659E+00
RMM: 14 0.141499878413E+03 0.39061E-02 -0.15539E-01 80681 0.116E+00 0.493E+00
RMM: 15 0.141495689833E+03 -0.41886E-02 -0.66242E-02 79974 0.713E-01 0.283E+00
RMM: 16 0.141493304770E+03 -0.23851E-02 -0.46880E-02 75987 0.624E-01 0.199E+00
RMM: 17 0.141495267602E+03 0.19628E-02 -0.19443E-02 76283 0.411E-01 0.836E-01
RMM: 18 0.141494889021E+03 -0.37858E-03 -0.93629E-03 81656 0.194E-01 0.350E-01
RMM: 19 0.141494474907E+03 -0.41411E-03 -0.33853E-03 75135 0.103E-01 0.338E-01
RMM: 20 0.141494326401E+03 -0.14851E-03 -0.15174E-03 61743 0.618E-02 0.232E-01
RMM: 21 0.141494282359E+03 -0.44042E-04 -0.61679E-04 54783 0.441E-02 0.118E-01
RMM: 22 0.141494251827E+03 -0.30532E-04 -0.31331E-04 44953 0.349E-02 0.335E-02
RMM: 23 0.141494236238E+03 -0.15589E-04 -0.13689E-04 40234 0.283E-02 0.255E-02
RMM: 24 0.141494230000E+03 -0.62379E-05 -0.64420E-05 37924 0.221E-02
19 F= 0.14149423E+03 E0= 0.14149418E+03 d E =-.163164E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.478508264554E+02 -0.93643E+02 -0.63964E+03 67455 0.565E+02 0.155E+03
RMM: 2 0.346584239566E+02 -0.13192E+02 -0.37495E+02 68936 0.138E+02 0.938E+02
RMM: 3 -0.226735699507E+02 -0.57332E+02 -0.24571E+02 73795 0.947E+01 0.113E+02
RMM: 4 0.255080858985E+02 0.48182E+02 -0.88144E+01 61231 0.822E+01 0.674E+01
RMM: 5 0.306101960812E+02 0.51021E+01 -0.50464E+01 75976 0.308E+01 0.522E+01
RMM: 6 0.331033906409E+02 0.24932E+01 -0.11995E+01 70897 0.201E+01 0.508E+01
RMM: 7 0.353161938199E+02 0.22128E+01 -0.58688E+00 81824 0.923E+00 0.393E+01
RMM: 8 0.354972898409E+02 0.18110E+00 -0.25857E+00 81177 0.547E+00 0.301E+01
RMM: 9 0.358553145607E+02 0.35802E+00 -0.11935E+00 80817 0.382E+00 0.250E+01
RMM: 10 0.358700259621E+02 0.14711E-01 -0.50760E-01 76406 0.298E+00 0.181E+01
RMM: 11 0.357706185017E+02 -0.99407E-01 -0.59965E-01 78385 0.393E+00 0.232E+01
RMM: 12 0.360162280011E+02 0.24561E+00 -0.24113E-01 71823 0.265E+00 0.601E+00
RMM: 13 0.359864396538E+02 -0.29788E-01 -0.99814E-02 81879 0.110E+00 0.644E+00
RMM: 14 0.359936878331E+02 0.72482E-02 -0.48147E-02 79631 0.765E-01 0.211E+00
RMM: 15 0.359918683146E+02 -0.18195E-02 -0.28432E-02 83136 0.455E-01 0.163E+00
RMM: 16 0.359914585840E+02 -0.40973E-03 -0.10986E-02 78530 0.308E-01 0.221E+00
RMM: 17 0.359911698857E+02 -0.28870E-03 -0.51278E-03 82642 0.204E-01 0.152E+00
RMM: 18 0.359919209177E+02 0.75103E-03 -0.22817E-03 80112 0.147E-01 0.892E-01
RMM: 19 0.359919804534E+02 0.59536E-04 -0.95816E-04 78552 0.986E-02 0.254E-01
RMM: 20 0.359919429801E+02 -0.37473E-04 -0.39766E-04 61115 0.601E-02 0.184E-01
RMM: 21 0.359919259356E+02 -0.17044E-04 -0.13925E-04 50788 0.348E-02 0.158E-01
RMM: 22 0.359919445069E+02 0.18571E-04 -0.65394E-05 42849 0.322E-02 0.897E-02
RMM: 23 0.359919439708E+02 -0.53609E-06 -0.19200E-05 37801 0.291E-02
20 F= 0.35991944E+02 E0= 0.35994869E+02 d E =-.105502E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.906703271544E+03 0.87071E+03 -0.43336E+04 93321 0.121E+03 0.167E+03
RMM: 2 0.461481261159E+03 -0.44522E+03 -0.57614E+03 85628 0.452E+02 0.127E+03
RMM: 3 0.328306681950E+03 -0.13317E+03 -0.14963E+03 89509 0.171E+02 0.661E+02
RMM: 4 0.281548166825E+03 -0.46759E+02 -0.57078E+02 76979 0.121E+02 0.189E+02
RMM: 5 0.311187082922E+03 0.29639E+02 -0.19788E+02 87364 0.516E+01 0.119E+02
RMM: 6 0.304708938846E+03 -0.64781E+01 -0.84071E+01 91206 0.279E+01 0.857E+01
RMM: 7 0.302736033145E+03 -0.19729E+01 -0.34808E+01 86851 0.225E+01 0.438E+01
RMM: 8 0.301338800363E+03 -0.13972E+01 -0.21016E+01 89675 0.146E+01 0.229E+01
RMM: 9 0.300260060238E+03 -0.10787E+01 -0.13295E+01 91563 0.946E+00 0.166E+01
RMM: 10 0.299557662663E+03 -0.70240E+00 -0.74772E+00 93159 0.654E+00 0.140E+01
RMM: 11 0.299103457071E+03 -0.45421E+00 -0.47855E+00 94331 0.477E+00 0.125E+01
RMM: 12 0.298801592513E+03 -0.30186E+00 -0.31796E+00 91069 0.389E+00 0.843E+00
RMM: 13 0.298540275843E+03 -0.26132E+00 -0.24038E+00 88313 0.334E+00 0.812E+00
RMM: 14 0.298403177516E+03 -0.13710E+00 -0.16430E+00 87347 0.276E+00 0.410E+00
RMM: 15 0.298289357316E+03 -0.11382E+00 -0.11396E+00 91955 0.207E+00 0.246E+00
RMM: 16 0.298195433843E+03 -0.93923E-01 -0.88784E-01 91720 0.156E+00 0.373E+00
RMM: 17 0.298129080873E+03 -0.66353E-01 -0.62793E-01 91719 0.120E+00 0.586E+00
RMM: 18 0.298073636873E+03 -0.55444E-01 -0.51706E-01 89444 0.961E-01 0.910E+00
RMM: 19 0.298037484086E+03 -0.36153E-01 -0.36510E-01 86077 0.825E-01 0.108E+01
RMM: 20 0.298003212473E+03 -0.34272E-01 -0.31706E-01 84488 0.677E-01 0.136E+01
RMM: 21 0.297978328485E+03 -0.24884E-01 -0.22603E-01 78835 0.573E-01 0.163E+01
RMM: 22 0.297963797206E+03 -0.14531E-01 -0.18926E-01 80379 0.496E-01 0.163E+01
RMM: 23 0.297969523681E+03 0.57265E-02 -0.11759E-01102028 0.682E-01 0.881E+00
RMM: 24 0.297958211516E+03 -0.11312E-01 -0.10616E-01 90160 0.375E-01 0.943E+00
RMM: 25 0.297952394536E+03 -0.58170E-02 -0.64350E-02 84365 0.293E-01 0.953E+00
RMM: 26 0.297946334762E+03 -0.60598E-02 -0.60882E-02 69018 0.224E-01 0.102E+01
RMM: 27 0.297945081958E+03 -0.12528E-02 -0.35479E-02 89375 0.250E-01 0.892E+00
RMM: 28 0.297945317513E+03 0.23556E-03 -0.31149E-02 98438 0.264E-01 0.537E+00
RMM: 29 0.297943549984E+03 -0.17675E-02 -0.18827E-02 80635 0.165E-01 0.499E+00
RMM: 30 0.297942534296E+03 -0.10157E-02 -0.15561E-02 80854 0.146E-01 0.415E+00
RMM: 31 0.297940927060E+03 -0.16072E-02 -0.10537E-02 60523 0.120E-01 0.532E+00
RMM: 32 0.297940493017E+03 -0.43404E-03 -0.81029E-03 53993 0.886E-02 0.486E+00
RMM: 33 0.297939890061E+03 -0.60296E-03 -0.54582E-03 48640 0.718E-02 0.516E+00
RMM: 34 0.297940380071E+03 0.49001E-03 -0.41653E-03 93232 0.131E-01 0.287E+00
RMM: 35 0.297939637943E+03 -0.74213E-03 -0.34874E-03100226 0.165E-01 0.266E+00
RMM: 36 0.297939064026E+03 -0.57392E-03 -0.19280E-03 86593 0.926E-02 0.351E+00
RMM: 37 0.297939588944E+03 0.52492E-03 -0.12151E-03 61563 0.700E-02 0.214E+00
RMM: 38 0.297939777445E+03 0.18850E-03 -0.13014E-03 86052 0.886E-02 0.408E-01
RMM: 39 0.297939696095E+03 -0.81350E-04 -0.64057E-04 50951 0.523E-02 0.551E-01
RMM: 40 0.297939629334E+03 -0.66760E-04 -0.54509E-04 48226 0.427E-02 0.821E-01
RMM: 41 0.297939630564E+03 0.12292E-05 -0.29669E-04 40713 0.439E-02 0.370E-01
RMM: 42 0.297939608877E+03 -0.21687E-04 -0.24554E-04 39635 0.251E-02 0.266E-01
RMM: 43 0.297939594442E+03 -0.14435E-04 -0.14079E-04 39200 0.259E-02 0.221E-01
RMM: 44 0.297939581356E+03 -0.13086E-04 -0.11441E-04 38596 0.221E-02 0.274E-01
RMM: 45 0.297939578162E+03 -0.31933E-05 -0.70403E-05 38076 0.199E-02
21 F= 0.29793958E+03 E0= 0.29794708E+03 d E =0.261948E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.931331039004E+02 -0.20481E+03 -0.84735E+03 65559 0.461E+02 0.172E+03
RMM: 2 0.444306786339E+02 -0.48702E+02 -0.83577E+02 84839 0.204E+02 0.979E+02
RMM: 3 -0.168988548005E+01 -0.46121E+02 -0.34833E+02 78041 0.923E+01 0.253E+02
RMM: 4 0.108541701672E+02 0.12544E+02 -0.12087E+02 72635 0.619E+01 0.177E+02
RMM: 5 0.203864878432E+02 0.95323E+01 -0.39524E+01 72267 0.323E+01 0.893E+01
RMM: 6 0.215218756972E+02 0.11354E+01 -0.14965E+01 72320 0.217E+01 0.604E+01
RMM: 7 0.199616566040E+02 -0.15602E+01 -0.74964E+00 76461 0.137E+01 0.393E+01
RMM: 8 0.220227390889E+02 0.20611E+01 -0.44317E+00 70544 0.113E+01 0.306E+01
RMM: 9 0.224567825838E+02 0.43404E+00 -0.14517E+00 79202 0.464E+00 0.265E+01
RMM: 10 0.225020553356E+02 0.45273E-01 -0.43074E-01 79815 0.196E+00 0.221E+01
RMM: 11 0.226524898927E+02 0.15043E+00 -0.19323E-01 76214 0.191E+00 0.815E+00
RMM: 12 0.226815651354E+02 0.29075E-01 -0.13294E-01 78702 0.140E+00 0.365E+00
RMM: 13 0.226858508257E+02 0.42857E-02 -0.29574E-02 70470 0.861E-01 0.194E+00
RMM: 14 0.226862595918E+02 0.40877E-03 -0.13123E-02 81926 0.387E-01 0.105E+00
RMM: 15 0.226865054442E+02 0.24585E-03 -0.35088E-03 80525 0.215E-01 0.831E-01
RMM: 16 0.226870418188E+02 0.53637E-03 -0.16100E-03 76372 0.146E-01 0.275E-01
RMM: 17 0.226870253128E+02 -0.16506E-04 -0.73009E-04 70735 0.815E-02 0.294E-01
RMM: 18 0.226870420282E+02 0.16715E-04 -0.21162E-04 58369 0.483E-02 0.127E-01
RMM: 19 0.226870435669E+02 0.15387E-05 -0.63549E-05 46795 0.389E-02
22 F= 0.22687044E+02 E0= 0.22688397E+02 d E =-.275253E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.155504126054E+04 0.15324E+04 -0.53261E+04 99612 0.117E+03 0.167E+03
RMM: 2 0.102283216400E+04 -0.53221E+03 -0.80865E+03 90232 0.579E+02 0.111E+03
RMM: 3 0.776411802417E+03 -0.24642E+03 -0.26501E+03 92004 0.240E+02 0.665E+02
RMM: 4 0.724101990146E+03 -0.52310E+02 -0.84038E+02 88067 0.135E+02 0.429E+02
RMM: 5 0.716754397153E+03 -0.73476E+01 -0.36520E+02 85059 0.751E+01 0.121E+02
RMM: 6 0.702965092578E+03 -0.13789E+02 -0.15685E+02 91365 0.346E+01 0.884E+01
RMM: 7 0.697775655729E+03 -0.51894E+01 -0.56880E+01 90966 0.217E+01 0.704E+01
RMM: 8 0.695310639701E+03 -0.24650E+01 -0.29809E+01 91146 0.140E+01 0.481E+01
RMM: 9 0.693791719043E+03 -0.15189E+01 -0.14279E+01 89770 0.115E+01 0.156E+01
RMM: 10 0.692717745730E+03 -0.10740E+01 -0.10406E+01 89998 0.794E+00 0.170E+01
RMM: 11 0.692173403866E+03 -0.54434E+00 -0.59302E+00 91622 0.559E+00 0.117E+01
RMM: 12 0.691732562595E+03 -0.44084E+00 -0.41330E+00 95416 0.395E+00 0.144E+01
RMM: 13 0.691460139470E+03 -0.27242E+00 -0.26332E+00 94599 0.311E+00 0.167E+01
RMM: 14 0.690941212088E+03 -0.51893E+00 -0.28942E+00 80920 0.355E+00 0.331E+01
RMM: 15 0.690739141129E+03 -0.20207E+00 -0.16068E+00 89496 0.255E+00 0.381E+01
RMM: 16 0.690605704160E+03 -0.13344E+00 -0.12601E+00 94353 0.185E+00 0.406E+01
RMM: 17 0.690501312676E+03 -0.10439E+00 -0.84710E-01 87749 0.149E+00 0.430E+01
RMM: 18 0.690449178183E+03 -0.52134E-01 -0.62538E-01 82744 0.130E+00 0.422E+01
RMM: 19 0.690772855197E+03 0.32368E+00 -0.44288E-01 97271 0.204E+00 0.272E+01
RMM: 20 0.690769291602E+03 -0.35636E-02 -0.27727E-01 88204 0.951E-01 0.245E+01
RMM: 21 0.690752113977E+03 -0.17178E-01 -0.16051E-01 89830 0.669E-01 0.250E+01
RMM: 22 0.690739027489E+03 -0.13086E-01 -0.12935E-01 76616 0.473E-01 0.252E+01
RMM: 23 0.690744680189E+03 0.56527E-02 -0.81474E-02 79969 0.434E-01 0.248E+01
RMM: 24 0.690751025009E+03 0.63448E-02 -0.62051E-02 84254 0.383E-01 0.246E+01
RMM: 25 0.690796999980E+03 0.45975E-01 -0.47176E-02 97821 0.574E-01 0.218E+01
RMM: 26 0.690858972263E+03 0.61972E-01 -0.57489E-02102496 0.715E-01 0.154E+01
RMM: 27 0.690864867118E+03 0.58949E-02 -0.21671E-02 89683 0.329E-01 0.142E+01
RMM: 28 0.690863478977E+03 -0.13881E-02 -0.13800E-02 71311 0.217E-01 0.140E+01
RMM: 29 0.690864384066E+03 0.90509E-03 -0.93645E-03 69048 0.159E-01 0.136E+01
RMM: 30 0.690878842868E+03 0.14459E-01 -0.11496E-02 99590 0.317E-01 0.112E+01
RMM: 31 0.690891204800E+03 0.12362E-01 -0.16346E-02103305 0.405E-01 0.838E+00
RMM: 32 0.690891909485E+03 0.70469E-03 -0.49823E-03 84913 0.188E-01 0.858E+00
RMM: 33 0.690892110198E+03 0.20071E-03 -0.37647E-03 77867 0.148E-01 0.857E+00
RMM: 34 0.690887464820E+03 -0.46454E-02 -0.25245E-03 93578 0.220E-01 0.101E+01
RMM: 35 0.690886499565E+03 -0.96525E-03 -0.13516E-03 72741 0.858E-02 0.105E+01
RMM: 36 0.690883944055E+03 -0.25555E-02 -0.89802E-04 82754 0.101E-01 0.108E+01
RMM: 37 0.690883087770E+03 -0.85629E-03 -0.55883E-04 64752 0.547E-02 0.110E+01
RMM: 38 0.690882973706E+03 -0.11406E-03 -0.29750E-04 45813 0.477E-02 0.110E+01
RMM: 39 0.690883037485E+03 0.63780E-04 -0.21142E-04 41376 0.274E-02 0.110E+01
RMM: 40 0.690881050662E+03 -0.19868E-02 -0.27410E-04 65245 0.528E-02 0.114E+01
RMM: 41 0.690880098440E+03 -0.95222E-03 -0.17471E-04 55174 0.465E-02 0.115E+01
RMM: 42 0.690879793057E+03 -0.30538E-03 -0.10450E-04 44964 0.337E-02 0.116E+01
RMM: 43 0.690879206624E+03 -0.58643E-03 -0.75526E-05 41632 0.345E-02 0.116E+01
RMM: 44 0.690877561830E+03 -0.16448E-02 -0.13018E-04 60599 0.402E-02 0.118E+01
RMM: 45 0.690877218838E+03 -0.34299E-03 -0.56971E-05 44948 0.395E-02 0.117E+01
RMM: 46 0.690876201941E+03 -0.10169E-02 -0.72551E-05 49894 0.324E-02 0.116E+01
RMM: 47 0.690878280610E+03 0.20787E-02 -0.12992E-04 62344 0.699E-02 0.110E+01
RMM: 48 0.690877807077E+03 -0.47353E-03 -0.42659E-05 42202 0.299E-02 0.109E+01
RMM: 49 0.690877567815E+03 -0.23926E-03 -0.19098E-05 36477 0.272E-02 0.109E+01
RMM: 50 0.690877528841E+03 -0.38975E-04 -0.96863E-06 34916 0.196E-02 0.109E+01
RMM: 51 0.690877635205E+03 0.10636E-03 -0.58677E-06 34347 0.154E-02 0.109E+01
RMM: 52 0.690877427061E+03 -0.20814E-03 -0.87581E-06 34523 0.166E-02 0.110E+01
RMM: 53 0.690877919858E+03 0.49280E-03 -0.58504E-06 34158 0.197E-02 0.110E+01
RMM: 54 0.690878394638E+03 0.47478E-03 -0.98535E-06 34134 0.142E-02 0.109E+01
RMM: 55 0.690879298228E+03 0.90359E-03 -0.26453E-05 38199 0.297E-02 0.107E+01
RMM: 56 0.690880884134E+03 0.15859E-02 -0.11686E-04 59673 0.425E-02 0.104E+01
RMM: 57 0.690882867886E+03 0.19838E-02 -0.23680E-04 77862 0.723E-02 0.102E+01
RMM: 58 0.690884907589E+03 0.20397E-02 -0.19742E-04 63441 0.525E-02 0.958E+00
RMM: 59 0.690886260154E+03 0.13526E-02 -0.14033E-04 63854 0.681E-02 0.916E+00
RMM: 60 0.690888370289E+03 0.21101E-02 -0.29705E-04 70999 0.669E-02
23 F= 0.69088837E+03 E0= 0.69089138E+03 d E =0.668201E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.113171187435E+03 -0.57772E+03 -0.99428E+03 73653 0.716E+02 0.153E+03
RMM: 2 0.114351198852E+03 0.11800E+01 -0.33386E+02 61032 0.161E+02 0.990E+02
RMM: 3 0.950308399487E+02 -0.19320E+02 -0.21314E+02 79671 0.717E+01 0.167E+02
RMM: 4 0.978437909357E+02 0.28130E+01 -0.65632E+01 75499 0.429E+01 0.970E+01
RMM: 5 0.104480732843E+03 0.66369E+01 -0.15722E+01 69985 0.232E+01 0.836E+01
RMM: 6 0.104214700921E+03 -0.26603E+00 -0.10294E+01 85346 0.811E+00 0.743E+01
RMM: 7 0.103901338661E+03 -0.31336E+00 -0.32924E+00 87827 0.366E+00 0.862E+01
RMM: 8 0.103543451578E+03 -0.35789E+00 -0.23203E+00 79801 0.390E+00 0.978E+01
RMM: 9 0.102111786137E+03 -0.14317E+01 -0.28601E+00 85328 0.595E+00 0.147E+02
RMM: 10 0.985425580838E+02 -0.35692E+01 -0.53343E+00 93042 0.953E+00 0.231E+02
RMM: 11 0.103918668018E+03 0.53761E+01 -0.10789E+01 97441 0.163E+01 0.808E+01
RMM: 12 0.101416755742E+03 -0.25019E+01 -0.10092E+01 95969 0.124E+01 0.171E+02
RMM: 13 0.103051928218E+03 0.16352E+01 -0.10344E+00 74311 0.368E+00 0.125E+02
RMM: 14 0.104645219281E+03 0.15933E+01 -0.28941E+00 90602 0.830E+00 0.196E+01
RMM: 15 0.104308100414E+03 -0.33712E+00 -0.11401E+00 83928 0.348E+00 0.489E+01
RMM: 16 0.104688546010E+03 0.38045E+00 -0.72455E-01 79043 0.452E+00 0.102E+01
RMM: 17 0.104683932826E+03 -0.46132E-02 -0.11284E-01 79881 0.136E+00 0.101E+01
RMM: 18 0.104672142193E+03 -0.11791E-01 -0.53090E-02 81887 0.824E-01 0.169E+01
RMM: 19 0.104685520666E+03 0.13378E-01 -0.86753E-03 67145 0.519E-01 0.124E+01
RMM: 20 0.104696534771E+03 0.11014E-01 -0.45423E-02 83835 0.104E+00 0.281E+00
RMM: 21 0.104697099897E+03 0.56513E-03 -0.26349E-03 62126 0.375E-01 0.207E+00
RMM: 22 0.104697180551E+03 0.80654E-04 -0.10321E-03 73843 0.146E-01 0.125E+00
RMM: 23 0.104697170493E+03 -0.10059E-04 -0.34885E-04 68992 0.810E-02 0.127E+00
RMM: 24 0.104697178456E+03 0.79631E-05 -0.78249E-04 77196 0.125E-01 0.134E+00
RMM: 25 0.104697246179E+03 0.67723E-04 -0.26253E-04 61544 0.998E-02 0.846E-01
RMM: 26 0.104697178127E+03 -0.68052E-04 -0.18490E-04 59789 0.531E-02 0.110E+00
RMM: 27 0.104697234903E+03 0.56776E-04 -0.91928E-06 37429 0.364E-02 0.912E-01
RMM: 28 0.104697299448E+03 0.64545E-04 -0.19560E-05 38422 0.297E-02 0.459E-01
RMM: 29 0.104697295624E+03 -0.38244E-05 -0.10134E-05 34803 0.237E-02
24 F= 0.10469730E+03 E0= 0.10469585E+03 d E =-.586191E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.240065925246E+04 0.22960E+04 -0.65882E+04102687 0.111E+03 0.141E+03
RMM: 2 0.177846570705E+04 -0.62219E+03 -0.89420E+03 82205 0.660E+02 0.775E+02
RMM: 3 0.151566269637E+04 -0.26280E+03 -0.28980E+03 85778 0.251E+02 0.605E+02
RMM: 4 0.144728521326E+04 -0.68377E+02 -0.97443E+02 84051 0.150E+02 0.374E+02
RMM: 5 0.141538149036E+04 -0.31904E+02 -0.41302E+02 86522 0.679E+01 0.131E+02
RMM: 6 0.140651184276E+04 -0.88696E+01 -0.16364E+02 88232 0.337E+01 0.835E+01
RMM: 7 0.140223704654E+04 -0.42748E+01 -0.57935E+01 89034 0.188E+01 0.612E+01
RMM: 8 0.139997504012E+04 -0.22620E+01 -0.25015E+01 86956 0.124E+01 0.300E+01
RMM: 9 0.139869091255E+04 -0.12841E+01 -0.13131E+01 88970 0.829E+00 0.142E+01
RMM: 10 0.139759991403E+04 -0.10910E+01 -0.95752E+00 82686 0.630E+00 0.195E+01
RMM: 11 0.139699366189E+04 -0.60625E+00 -0.58447E+00 91508 0.437E+00 0.236E+01
RMM: 12 0.139644134795E+04 -0.55231E+00 -0.47182E+00 87979 0.345E+00 0.381E+01
RMM: 13 0.139624715488E+04 -0.19419E+00 -0.30570E+00 81756 0.334E+00 0.354E+01
RMM: 14 0.139612300770E+04 -0.12415E+00 -0.22861E+00 81443 0.315E+00 0.182E+01
RMM: 15 0.139597860556E+04 -0.14440E+00 -0.15990E+00 84182 0.238E+00 0.882E+00
RMM: 16 0.139584770946E+04 -0.13090E+00 -0.11891E+00 90745 0.160E+00 0.118E+01
RMM: 17 0.139574271678E+04 -0.10499E+00 -0.92124E-01 81263 0.127E+00 0.177E+01
RMM: 18 0.139567380178E+04 -0.68915E-01 -0.68066E-01 80791 0.103E+00 0.180E+01
RMM: 19 0.139560314876E+04 -0.70653E-01 -0.57281E-01 79255 0.103E+00 0.235E+01
RMM: 20 0.139556815931E+04 -0.34989E-01 -0.39149E-01 76209 0.780E-01 0.243E+01
RMM: 21 0.139553800168E+04 -0.30158E-01 -0.31434E-01 72275 0.576E-01 0.253E+01
RMM: 22 0.139551980635E+04 -0.18195E-01 -0.21853E-01 77520 0.524E-01 0.253E+01
RMM: 23 0.139551451339E+04 -0.52930E-02 -0.16401E-01 83521 0.497E-01 0.224E+01
RMM: 24 0.139550813393E+04 -0.63795E-02 -0.11388E-01 80268 0.388E-01 0.208E+01
RMM: 25 0.139550787376E+04 -0.26017E-03 -0.82918E-02 87580 0.393E-01 0.175E+01
RMM: 26 0.139551172174E+04 0.38480E-02 -0.57306E-02 92001 0.412E-01 0.120E+01
RMM: 27 0.139550348864E+04 -0.82331E-02 -0.42624E-02 73098 0.261E-01 0.138E+01
RMM: 28 0.139550136555E+04 -0.21231E-02 -0.27304E-02 56782 0.165E-01 0.137E+01
RMM: 29 0.139549911144E+04 -0.22541E-02 -0.20948E-02 55023 0.139E-01 0.139E+01
RMM: 30 0.139549962365E+04 0.51221E-03 -0.13204E-02 65289 0.139E-01 0.127E+01
RMM: 31 0.139550521790E+04 0.55943E-02 -0.12856E-02 98683 0.326E-01 0.576E+00
RMM: 32 0.139550252529E+04 -0.26926E-02 -0.67163E-03 76968 0.154E-01 0.729E+00
RMM: 33 0.139550088936E+04 -0.16359E-02 -0.48248E-03 74169 0.109E-01 0.861E+00
RMM: 34 0.139550087078E+04 -0.18579E-04 -0.31127E-03 51827 0.740E-02 0.843E+00
RMM: 35 0.139550181665E+04 0.94587E-03 -0.22765E-03 68398 0.913E-02 0.719E+00
RMM: 36 0.139550183563E+04 0.18978E-04 -0.15848E-03 57502 0.734E-02 0.671E+00
RMM: 37 0.139550332138E+04 0.14858E-02 -0.15497E-03 86356 0.128E-01 0.381E+00
RMM: 38 0.139550348279E+04 0.16141E-03 -0.94100E-04 72566 0.853E-02 0.240E+00
RMM: 39 0.139550355455E+04 0.71766E-04 -0.52386E-04 63247 0.641E-02 0.144E+00
RMM: 40 0.139550351937E+04 -0.35180E-04 -0.36516E-04 44489 0.472E-02 0.122E+00
RMM: 41 0.139550354222E+04 0.22844E-04 -0.24660E-04 49051 0.398E-02 0.623E-01
RMM: 42 0.139550352444E+04 -0.17773E-04 -0.16824E-04 41030 0.359E-02 0.534E-01
RMM: 43 0.139550351897E+04 -0.54747E-05 -0.10109E-04 39937 0.228E-02 0.440E-01
RMM: 44 0.139550351662E+04 -0.23473E-05 -0.80837E-05 39260 0.221E-02
25 F= 0.13955035E+04 E0= 0.13955108E+04 d E =0.129081E+04
N E dE d eps ncg rms rms(c)
DAV: 1 0.296240701761E+03 -0.10993E+04 -0.71291E+03 64860 0.684E+02 0.204E+03
RMM: 2 0.309101386381E+03 0.12861E+02 -0.54507E+02 69849 0.155E+02 0.171E+03
RMM: 3 0.240206012974E+03 -0.68895E+02 -0.38465E+02 76991 0.104E+02 0.427E+02
RMM: 4 0.305805764746E+03 0.65600E+02 -0.11217E+02 65205 0.843E+01 0.169E+02
RMM: 5 0.313366884746E+03 0.75611E+01 -0.49004E+01 75439 0.332E+01 0.170E+02
RMM: 6 0.315838066088E+03 0.24712E+01 -0.87863E+00 72666 0.170E+01 0.102E+02
RMM: 7 0.316324925946E+03 0.48686E+00 -0.49459E+00 81733 0.843E+00 0.506E+01
RMM: 8 0.315902833881E+03 -0.42209E+00 -0.24946E+00 71329 0.801E+00 0.373E+01
RMM: 9 0.316378607962E+03 0.47577E+00 -0.86072E-01 69808 0.556E+00 0.236E+01
RMM: 10 0.316415495663E+03 0.36888E-01 -0.45987E-01 77988 0.299E+00 0.104E+01
RMM: 11 0.316459547475E+03 0.44052E-01 -0.15102E-01 76327 0.174E+00 0.583E+00
RMM: 12 0.316442659139E+03 -0.16888E-01 -0.84044E-02 82495 0.675E-01 0.627E+00
RMM: 13 0.316456348348E+03 0.13689E-01 -0.29371E-02 78655 0.682E-01 0.180E+00
RMM: 14 0.316455708600E+03 -0.63975E-03 -0.11396E-02 77994 0.302E-01 0.146E+00
RMM: 15 0.316455495488E+03 -0.21311E-03 -0.46314E-03 74671 0.179E-01 0.106E+00
RMM: 16 0.316455468328E+03 -0.27161E-04 -0.22703E-03 71010 0.162E-01 0.124E+00
RMM: 17 0.316455706317E+03 0.23799E-03 -0.99059E-04 67135 0.952E-02 0.366E-01
RMM: 18 0.316455705325E+03 -0.99163E-06 -0.46523E-04 55993 0.560E-02 0.170E-01
RMM: 19 0.316455683387E+03 -0.21938E-04 -0.23393E-04 44641 0.338E-02 0.105E-01
RMM: 20 0.316455675111E+03 -0.82769E-05 -0.11397E-04 38833 0.252E-02 0.382E-02
RMM: 21 0.316455668679E+03 -0.64315E-05 -0.67809E-05 37320 0.170E-02
26 F= 0.31645567E+03 E0= 0.31646106E+03 d E =-.107905E+04
N E dE d eps ncg rms rms(c)
DAV: 1 0.193719201528E+04 0.16207E+04 -0.68954E+04 94326 0.107E+03 0.265E+03
RMM: 2 0.150415626368E+04 -0.43304E+03 -0.98188E+03 94798 0.670E+02 0.158E+03
RMM: 3 0.121991241500E+04 -0.28424E+03 -0.35958E+03 99555 0.366E+02 0.510E+02
RMM: 4 0.109209701014E+04 -0.12782E+03 -0.15095E+03101237 0.237E+02 0.478E+02
RMM: 5 0.101580444830E+04 -0.76293E+02 -0.81638E+02102348 0.153E+02 0.685E+02
RMM: 6 0.947235665069E+03 -0.68569E+02 -0.56078E+02103173 0.122E+02 0.964E+02
RMM: 7 0.905414198651E+03 -0.41821E+02 -0.39465E+02103462 0.102E+02 0.111E+03
RMM: 8 0.915905042571E+03 0.10491E+02 -0.30256E+02 99551 0.897E+01 0.106E+03
RMM: 9 0.755439427473E+03 -0.16047E+03 -0.34328E+02 98268 0.125E+02 0.151E+03
RMM: 10 0.275223092094E+03 -0.48022E+03 -0.63939E+02103406 0.200E+02 0.267E+03
RMM: 11 0.155341676014E+02 -0.25969E+03 -0.33589E+02102994 0.167E+02 0.320E+03
RMM: 12 -0.152819197089E+03 -0.16835E+03 -0.24296E+02103219 0.154E+02 0.352E+03
RMM: 13 0.432818624521E+02 0.19610E+03 -0.20898E+02 99504 0.131E+02 0.332E+03
RMM: 14 -0.902386172967E+03 -0.94567E+03 -0.25946E+02102809 0.227E+02 0.444E+03
RMM: 15 -0.141437930876E+04 -0.51199E+03 -0.60699E+01102377 0.207E+02 0.502E+03
RMM: 16 -0.141622714073E+04 -0.18478E+01 -0.32208E+01103334 0.179E+02 0.508E+03
RMM: 17 -0.134842689373E+04 0.67800E+02 -0.38330E+01104059 0.160E+02 0.506E+03
RMM: 18 -0.134836971737E+04 0.57176E-01 -0.79743E+01103646 0.150E+02 0.508E+03
RMM: 19 -0.134760882617E+04 0.76089E+00 -0.59336E+01104391 0.144E+02 0.509E+03
RMM: 20 -0.165965217453E+04 -0.31204E+03 -0.85499E+01 99531 0.161E+02 0.534E+03
RMM: 21 -0.187565950087E+04 -0.21601E+03 -0.14130E+02100203 0.161E+02 0.551E+03
RMM: 22 -0.216927166285E+04 -0.29361E+03 -0.10908E+02101387 0.176E+02 0.572E+03
RMM: 23 -0.369102326858E+04 -0.15218E+04 0.32839E+02104452 0.710E+02 0.672E+03
RMM: 24 -0.165409095925E+04 0.20369E+04 -0.13107E+03102484 0.430E+02 0.588E+03
RMM: 25 -0.165505149197E+04 -0.96053E+00 -0.44110E+02103940 0.277E+02 0.580E+03
RMM: 26 -0.214355942707E+04 -0.48851E+03 -0.10435E+03104504 0.283E+02 0.581E+03
RMM: 27 -0.213655776950E+04 0.70017E+01 -0.68925E+02103185 0.210E+02 0.580E+03
RMM: 28 -0.173586803745E+04 0.40069E+03 -0.32310E+02104034 0.217E+02 0.577E+03
RMM: 29 -0.171243457133E+04 0.23433E+02 -0.74835E+01101441 0.168E+02 0.577E+03
RMM: 30 -0.306473628247E+04 -0.13523E+04 0.17450E+03104037 0.517E+02 0.678E+03
RMM: 31 -0.166057278917E+04 0.14042E+04 -0.79000E+02102046 0.303E+02 0.621E+03
RMM: 32 -0.193952493917E+04 -0.27895E+03 -0.90591E+02100709 0.243E+02 0.592E+03
RMM: 33 -0.168702611014E+04 0.25250E+03 -0.42381E+02101847 0.203E+02 0.585E+03
RMM: 34 -0.176774631210E+04 -0.80720E+02 -0.58920E+01101690 0.158E+02 0.589E+03
RMM: 35 -0.183040562807E+04 -0.62659E+02 -0.11547E+02101233 0.148E+02 0.594E+03
RMM: 36 -0.188226935360E+04 -0.51864E+02 -0.59984E+00102703 0.142E+02 0.597E+03
RMM: 37 -0.194015070145E+04 -0.57881E+02 -0.12988E+02101179 0.140E+02 0.602E+03
RMM: 38 -0.150159219037E+04 0.43856E+03 -0.10889E+02103593 0.148E+02 0.567E+03
RMM: 39 -0.171385663843E+04 -0.21226E+03 -0.13809E+02103450 0.141E+02 0.582E+03
RMM: 40 -0.169828231138E+04 0.15574E+02 -0.68518E+01102678 0.132E+02 0.581E+03
RMM: 41 -0.859553974499E+03 0.83873E+03 -0.41812E+02105161 0.161E+02 0.512E+03
RMM: 42 -0.858874045831E+03 0.67993E+00 -0.82563E+01103207 0.115E+02 0.509E+03
RMM: 43 -0.880983737442E+03 -0.22110E+02 -0.81561E+01103641 0.107E+02 0.510E+03
RMM: 44 -0.579538389699E+03 0.30145E+03 -0.24043E+02103642 0.116E+02 0.479E+03
RMM: 45 -0.374349765638E+03 0.20519E+03 -0.27301E+02104290 0.111E+02 0.455E+03
RMM: 46 -0.356307510103E+03 0.18042E+02 -0.69568E+01103716 0.971E+01 0.450E+03
RMM: 47 -0.983771945039E+02 0.25793E+03 -0.40222E+02102765 0.111E+02 0.419E+03
RMM: 48 -0.115755078479E+03 -0.17378E+02 -0.29784E+01102728 0.890E+01 0.419E+03
RMM: 49 -0.201005094534E+03 -0.85250E+02 0.14941E+01100491 0.836E+01 0.429E+03
RMM: 50 -0.211017705097E+03 -0.10013E+02 0.53010E+00102661 0.810E+01 0.431E+03
RMM: 51 -0.209139131567E+03 0.18786E+01 -0.39597E+01101641 0.791E+01 0.431E+03
RMM: 52 0.114012053816E+04 0.13493E+04 -0.64173E+03105114 0.486E+02 0.823E+02
RMM: 53 0.107702941442E+04 -0.63091E+02 -0.16550E+03105317 0.215E+02 0.612E+02
RMM: 54 0.105465439972E+04 -0.22375E+02 -0.59849E+02104805 0.138E+02 0.606E+02
RMM: 55 0.103611108370E+04 -0.18543E+02 -0.29702E+02104911 0.104E+02 0.643E+02
RMM: 56 0.101765849440E+04 -0.18453E+02 -0.18724E+02105017 0.824E+01 0.682E+02
RMM: 57 0.950162074684E+03 -0.67496E+02 -0.22526E+02104289 0.932E+01 0.855E+02
RMM: 58 0.875576843601E+03 -0.74585E+02 -0.22995E+02104721 0.746E+01 0.124E+03
RMM: 59 0.928469396593E+03 0.52893E+02 -0.68202E+01104686 0.623E+01 0.114E+03
RMM: 60 0.854872796954E+03 -0.73597E+02 -0.13146E+02104832 0.603E+01
27 F= 0.85487280E+03 E0= 0.85487284E+03 d E =0.538417E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.586939180829E+03 -0.34153E+03 -0.42938E+04 88131 0.112E+03 0.238E+03
RMM: 2 0.453565168211E+03 -0.13337E+03 -0.52739E+03 83106 0.511E+02 0.156E+03
RMM: 3 0.301854867148E+03 -0.15171E+03 -0.19820E+03 89053 0.206E+02 0.544E+02
RMM: 4 0.281384728952E+03 -0.20470E+02 -0.51370E+02 81822 0.106E+02 0.253E+02
RMM: 5 0.265006578479E+03 -0.16378E+02 -0.21953E+02 83543 0.541E+01 0.118E+02
RMM: 6 0.272755005303E+03 0.77484E+01 -0.89162E+01 86871 0.279E+01 0.589E+01
RMM: 7 0.269107070493E+03 -0.36479E+01 -0.40983E+01 88952 0.146E+01 0.450E+01
RMM: 8 0.267700826617E+03 -0.14062E+01 -0.17288E+01 87668 0.831E+00 0.267E+01
RMM: 9 0.267021014904E+03 -0.67981E+00 -0.87130E+00 84855 0.622E+00 0.190E+01
RMM: 10 0.266816791027E+03 -0.20422E+00 -0.47661E+00 86659 0.381E+00 0.137E+01
RMM: 11 0.266518107479E+03 -0.29868E+00 -0.27051E+00 88961 0.231E+00 0.935E+00
RMM: 12 0.266358462959E+03 -0.15964E+00 -0.14183E+00 85410 0.194E+00 0.696E+00
RMM: 13 0.266237595377E+03 -0.12087E+00 -0.11146E+00 74432 0.159E+00 0.620E+00
RMM: 14 0.266159948446E+03 -0.77647E-01 -0.70015E-01 85459 0.975E-01 0.674E+00
RMM: 15 0.266098553030E+03 -0.61395E-01 -0.54890E-01 87196 0.633E-01 0.795E+00
RMM: 16 0.266047719061E+03 -0.50834E-01 -0.42945E-01 83052 0.573E-01 0.104E+01
RMM: 17 0.266003509855E+03 -0.44209E-01 -0.36232E-01 80840 0.426E-01 0.133E+01
RMM: 18 0.265992585344E+03 -0.10925E-01 -0.24712E-01 88748 0.582E-01 0.106E+01
RMM: 19 0.265973972991E+03 -0.18612E-01 -0.20808E-01 83363 0.389E-01 0.102E+01
RMM: 20 0.265956289669E+03 -0.17683E-01 -0.15753E-01 78581 0.276E-01 0.108E+01
RMM: 21 0.265934285395E+03 -0.22004E-01 -0.13568E-01 77142 0.277E-01 0.141E+01
RMM: 22 0.265945855032E+03 0.11570E-01 -0.85084E-02100014 0.564E-01 0.732E+00
RMM: 23 0.265939527747E+03 -0.63273E-02 -0.68791E-02 79171 0.190E-01 0.668E+00
RMM: 24 0.265934346974E+03 -0.51808E-02 -0.44631E-02 55206 0.133E-01 0.719E+00
RMM: 25 0.265929095161E+03 -0.52518E-02 -0.37750E-02 56455 0.118E-01 0.840E+00
RMM: 26 0.265926981833E+03 -0.21133E-02 -0.25529E-02 45853 0.963E-02 0.841E+00
RMM: 27 0.265930253978E+03 0.32721E-02 -0.19748E-02 97614 0.265E-01 0.417E+00
RMM: 28 0.265929030566E+03 -0.12234E-02 -0.13457E-02 66493 0.917E-02 0.382E+00
RMM: 29 0.265928976975E+03 -0.53590E-04 -0.89940E-03 85520 0.114E-01 0.242E+00
RMM: 30 0.265928498682E+03 -0.47829E-03 -0.66034E-03 58286 0.760E-02 0.185E+00
RMM: 31 0.265928357673E+03 -0.14101E-03 -0.50115E-03 89532 0.131E-01 0.662E-01
RMM: 32 0.265928029789E+03 -0.32788E-03 -0.32234E-03 46608 0.562E-02 0.612E-01
RMM: 33 0.265927815725E+03 -0.21406E-03 -0.21417E-03 41161 0.412E-02 0.579E-01
RMM: 34 0.265927672948E+03 -0.14278E-03 -0.15515E-03 39837 0.359E-02 0.350E-01
RMM: 35 0.265927530172E+03 -0.14278E-03 -0.10801E-03 44424 0.500E-02 0.748E-01
RMM: 36 0.265927483731E+03 -0.46440E-04 -0.75252E-04 39142 0.323E-02 0.461E-01
RMM: 37 0.265927430792E+03 -0.52939E-04 -0.49671E-04 38274 0.222E-02 0.449E-01
RMM: 38 0.265927400073E+03 -0.30719E-04 -0.34451E-04 37603 0.219E-02 0.385E-01
RMM: 39 0.265927387202E+03 -0.12871E-04 -0.24106E-04 36970 0.155E-02 0.161E-01
RMM: 40 0.265927372004E+03 -0.15198E-04 -0.15749E-04 36328 0.153E-02 0.119E-01
RMM: 41 0.265927360886E+03 -0.11117E-04 -0.10803E-04 33732 0.880E-03 0.122E-01
RMM: 42 0.265927354861E+03 -0.60252E-05 -0.64532E-05 32031 0.830E-03
28 F= 0.26592735E+03 E0= 0.26593024E+03 d E =-.588945E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.217065774521E+04 0.19047E+04 -0.64620E+04104661 0.117E+03 0.218E+03
RMM: 2 0.148387644718E+04 -0.68678E+03 -0.10688E+04 93120 0.697E+02 0.135E+03
RMM: 3 0.114942790449E+04 -0.33445E+03 -0.36493E+03 95718 0.293E+02 0.696E+02
RMM: 4 0.102220989774E+04 -0.12722E+03 -0.14736E+03 94553 0.170E+02 0.560E+02
RMM: 5 0.961069323235E+03 -0.61141E+02 -0.79960E+02 97151 0.877E+01 0.706E+02
RMM: 6 0.792660657901E+03 -0.16841E+03 -0.76744E+02 96852 0.958E+01 0.128E+03
RMM: 7 0.977489534386E+03 0.18483E+03 -0.62419E+02 83433 0.137E+02 0.211E+02
RMM: 8 0.961342165909E+03 -0.16147E+02 -0.17282E+02 91926 0.456E+01 0.246E+02
RMM: 9 0.957314872623E+03 -0.40273E+01 -0.80897E+01 92466 0.297E+01 0.180E+02
RMM: 10 0.952882017772E+03 -0.44329E+01 -0.47012E+01 96866 0.179E+01 0.184E+02
RMM: 11 0.950886608607E+03 -0.19954E+01 -0.21861E+01 92971 0.138E+01 0.184E+02
RMM: 12 0.949631323509E+03 -0.12553E+01 -0.20465E+01 88381 0.125E+01 0.172E+02
RMM: 13 0.947626573845E+03 -0.20047E+01 -0.14810E+01 87982 0.121E+01 0.234E+02
RMM: 14 0.947697760366E+03 0.71187E-01 -0.67663E+00 81381 0.884E+00 0.233E+02
RMM: 15 0.947733641847E+03 0.35881E-01 -0.62245E+00 83201 0.756E+00 0.228E+02
RMM: 16 0.947381783688E+03 -0.35186E+00 -0.33348E+00 79185 0.506E+00 0.235E+02
RMM: 17 0.947264362942E+03 -0.11742E+00 -0.27530E+00 84656 0.373E+00 0.230E+02
RMM: 18 0.947395121581E+03 0.13076E+00 -0.20277E+00 85380 0.391E+00 0.208E+02
RMM: 19 0.947290915673E+03 -0.10421E+00 -0.14468E+00 91521 0.252E+00 0.200E+02
RMM: 20 0.947013606108E+03 -0.27731E+00 -0.10889E+00 78065 0.209E+00 0.220E+02
RMM: 21 0.947313899438E+03 0.30029E+00 -0.93333E-01 87491 0.298E+00 0.171E+02
RMM: 22 0.947378409914E+03 0.64510E-01 -0.70367E-01 85719 0.188E+00 0.151E+02
RMM: 23 0.947339965480E+03 -0.38444E-01 -0.45886E-01 90492 0.136E+00 0.147E+02
RMM: 24 0.947368153004E+03 0.28188E-01 -0.39228E-01 84606 0.138E+00 0.132E+02
RMM: 25 0.947590525806E+03 0.22237E+00 -0.65376E-01104559 0.342E+00 0.427E+01
RMM: 26 0.947574612999E+03 -0.15913E-01 -0.41601E-01 94283 0.194E+00 0.120E+01
RMM: 27 0.947556840179E+03 -0.17773E-01 -0.17005E-01 92674 0.997E-01 0.112E+01
RMM: 28 0.947535834481E+03 -0.21006E-01 -0.17059E-01 88477 0.635E-01 0.123E+01
RMM: 29 0.947530631281E+03 -0.52032E-02 -0.97792E-02 85380 0.610E-01 0.121E+01
RMM: 30 0.947539041283E+03 0.84100E-02 -0.96729E-02 93517 0.825E-01 0.809E+00
RMM: 31 0.947533928587E+03 -0.51127E-02 -0.56752E-02 90028 0.453E-01 0.631E+00
RMM: 32 0.947529526882E+03 -0.44017E-02 -0.43831E-02 80169 0.312E-01 0.628E+00
RMM: 33 0.947526292822E+03 -0.32341E-02 -0.32561E-02 80569 0.317E-01 0.566E+00
RMM: 34 0.947524157696E+03 -0.21351E-02 -0.26328E-02 86893 0.294E-01 0.522E+00
RMM: 35 0.947522267174E+03 -0.18905E-02 -0.18183E-02 67850 0.218E-01 0.590E+00
RMM: 36 0.947521223747E+03 -0.10434E-02 -0.14436E-02 84635 0.243E-01 0.290E+00
RMM: 37 0.947520305053E+03 -0.91869E-03 -0.10533E-02 76891 0.154E-01 0.178E+00
RMM: 38 0.947519562605E+03 -0.74245E-03 -0.75498E-03 53113 0.115E-01 0.145E+00
RMM: 39 0.947519015839E+03 -0.54677E-03 -0.57710E-03 61295 0.105E-01 0.720E-01
RMM: 40 0.947518583651E+03 -0.43219E-03 -0.42353E-03 57767 0.837E-02 0.514E-01
RMM: 41 0.947518275711E+03 -0.30794E-03 -0.31850E-03 44813 0.757E-02 0.371E-01
RMM: 42 0.947518051792E+03 -0.22392E-03 -0.23039E-03 43160 0.556E-02 0.315E-01
RMM: 43 0.947517882328E+03 -0.16946E-03 -0.17363E-03 42203 0.464E-02 0.301E-01
RMM: 44 0.947517759574E+03 -0.12275E-03 -0.12493E-03 41505 0.379E-02 0.299E-01
RMM: 45 0.947517669666E+03 -0.89908E-04 -0.95197E-04 40935 0.314E-02 0.272E-01
RMM: 46 0.947517608104E+03 -0.61562E-04 -0.66637E-04 40448 0.281E-02 0.205E-01
RMM: 47 0.947517559488E+03 -0.48616E-04 -0.51179E-04 40003 0.254E-02 0.153E-01
RMM: 48 0.947517524476E+03 -0.35012E-04 -0.35768E-04 39411 0.238E-02 0.171E-01
RMM: 49 0.947517497916E+03 -0.26560E-04 -0.27368E-04 38050 0.177E-02 0.146E-01
RMM: 50 0.947517479108E+03 -0.18807E-04 -0.19390E-04 37050 0.159E-02 0.154E-01
RMM: 51 0.947517465179E+03 -0.13929E-04 -0.14420E-04 28647 0.122E-02 0.140E-01
RMM: 52 0.947517455204E+03 -0.99752E-05 -0.10395E-04 32491 0.112E-02 0.160E-01
RMM: 53 0.947517447723E+03 -0.74804E-05 -0.76877E-05 32183 0.980E-03
29 F= 0.94751745E+03 E0= 0.94752030E+03 d E =0.681590E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.446396342478E+03 -0.50112E+03 -0.98279E+03 70614 0.747E+02 0.245E+03
RMM: 2 0.442766838753E+03 -0.36295E+01 -0.82980E+02 82981 0.226E+02 0.150E+03
RMM: 3 0.395988308561E+03 -0.46779E+02 -0.46428E+02 96655 0.117E+02 0.298E+02
RMM: 4 0.403109000458E+03 0.71207E+01 -0.16416E+02 94608 0.801E+01 0.271E+02
RMM: 5 0.396267091631E+03 -0.68419E+01 -0.11508E+02 98166 0.434E+01 0.226E+02
RMM: 6 0.390706584697E+03 -0.55605E+01 -0.92690E+01 89149 0.402E+01 0.196E+02
RMM: 7 0.385832209175E+03 -0.48744E+01 -0.10738E+02 89690 0.383E+01 0.986E+01
RMM: 8 0.382867967752E+03 -0.29642E+01 -0.50334E+01 85151 0.272E+01 0.504E+01
RMM: 9 0.377922411556E+03 -0.49456E+01 -0.47699E+01 89946 0.182E+01 0.545E+01
RMM: 10 0.373841078295E+03 -0.40813E+01 -0.39091E+01 96864 0.150E+01 0.639E+01
RMM: 11 0.369262572483E+03 -0.45785E+01 -0.36747E+01 89093 0.156E+01 0.940E+01
RMM: 12 0.366040089100E+03 -0.32225E+01 -0.31334E+01 96330 0.130E+01 0.107E+02
RMM: 13 0.362866952062E+03 -0.31731E+01 -0.28855E+01 95671 0.118E+01 0.123E+02
RMM: 14 0.359707290814E+03 -0.31597E+01 -0.25822E+01 91561 0.117E+01 0.135E+02
RMM: 15 0.356568620158E+03 -0.31387E+01 -0.24790E+01 90158 0.121E+01 0.176E+02
RMM: 16 0.355402281059E+03 -0.11663E+01 -0.22316E+01 91975 0.147E+01 0.152E+02
RMM: 17 0.351539799074E+03 -0.38625E+01 -0.21765E+01 87911 0.111E+01 0.160E+02
RMM: 18 0.349042691650E+03 -0.24971E+01 -0.18160E+01 91950 0.891E+00 0.170E+02
RMM: 19 0.347866352010E+03 -0.11763E+01 -0.16497E+01 86637 0.804E+00 0.173E+02
RMM: 20 0.343585751285E+03 -0.42806E+01 -0.16801E+01 91237 0.943E+00 0.186E+02
RMM: 21 0.341342211559E+03 -0.22435E+01 -0.15217E+01 91650 0.758E+00 0.197E+02
RMM: 22 0.339537932258E+03 -0.18043E+01 -0.14063E+01 96592 0.688E+00 0.203E+02
RMM: 23 0.336626396753E+03 -0.29115E+01 -0.13822E+01 92944 0.747E+00 0.211E+02
RMM: 24 0.335614386046E+03 -0.10120E+01 -0.11821E+01 89322 0.629E+00 0.216E+02
RMM: 25 0.337321669981E+03 0.17073E+01 -0.10131E+01 96885 0.692E+00 0.211E+02
RMM: 26 0.338058997952E+03 0.73733E+00 -0.90337E+00 93434 0.592E+00 0.206E+02
RMM: 27 0.337108842481E+03 -0.95016E+00 -0.80474E+00 88280 0.483E+00 0.207E+02
RMM: 28 0.338976097209E+03 0.18673E+01 -0.72258E+00101156 0.613E+00 0.201E+02
RMM: 29 0.338805633049E+03 -0.17046E+00 -0.67344E+00 93375 0.449E+00 0.197E+02
RMM: 30 0.340709899893E+03 0.19043E+01 -0.64468E+00101813 0.573E+00 0.189E+02
RMM: 31 0.342897341070E+03 0.21874E+01 -0.72629E+00101081 0.572E+00 0.173E+02
RMM: 32 0.346316907037E+03 0.34196E+01 -0.88818E+00105062 0.772E+00 0.151E+02
RMM: 33 0.345408952854E+03 -0.90795E+00 -0.60740E+00 92074 0.435E+00 0.149E+02
RMM: 34 0.345127584114E+03 -0.28137E+00 -0.51832E+00 91669 0.354E+00 0.149E+02
RMM: 35 0.344899970707E+03 -0.22761E+00 -0.49645E+00 90549 0.320E+00 0.146E+02
RMM: 36 0.345403869103E+03 0.50390E+00 -0.46328E+00 97868 0.383E+00 0.142E+02
RMM: 37 0.345352616303E+03 -0.51253E-01 -0.44658E+00 92657 0.310E+00 0.136E+02
RMM: 38 0.345066402930E+03 -0.28621E+00 -0.36783E+00 94745 0.268E+00 0.136E+02
RMM: 39 0.345196889384E+03 0.13049E+00 -0.37417E+00 95265 0.293E+00 0.130E+02
RMM: 40 0.345751175918E+03 0.55429E+00 -0.37822E+00102605 0.358E+00 0.121E+02
RMM: 41 0.345430593704E+03 -0.32058E+00 -0.37775E+00 93343 0.247E+00 0.118E+02
RMM: 42 0.345040404620E+03 -0.39019E+00 -0.36630E+00 91286 0.224E+00 0.119E+02
RMM: 43 0.344860181510E+03 -0.18022E+00 -0.39488E+00 95045 0.241E+00 0.114E+02
RMM: 44 0.344914984441E+03 0.54803E-01 -0.41042E+00 98391 0.265E+00 0.110E+02
RMM: 45 0.344457108149E+03 -0.45788E+00 -0.42274E+00 90834 0.205E+00 0.110E+02
RMM: 46 0.344237819500E+03 -0.21929E+00 -0.41040E+00 95622 0.221E+00 0.108E+02
RMM: 47 0.346295389964E+03 0.20576E+01 -0.60210E+00106043 0.670E+00 0.783E+01
RMM: 48 0.345938993193E+03 -0.35640E+00 -0.41090E+00102837 0.264E+00 0.745E+01
RMM: 49 0.345461564535E+03 -0.47743E+00 -0.38441E+00 91482 0.206E+00 0.751E+01
RMM: 50 0.344900866959E+03 -0.56070E+00 -0.44703E+00 88063 0.186E+00 0.758E+01
RMM: 51 0.344362402219E+03 -0.53846E+00 -0.47707E+00 85264 0.172E+00 0.768E+01
RMM: 52 0.339092521623E+03 -0.52699E+01 -0.10307E+01106152 0.108E+01 0.120E+02
RMM: 53 0.338617945606E+03 -0.47458E+00 -0.67045E+00105297 0.403E+00 0.123E+02
RMM: 54 0.338194343647E+03 -0.42360E+00 -0.61964E+00102407 0.250E+00 0.119E+02
RMM: 55 0.337616197596E+03 -0.57815E+00 -0.60178E+00 95398 0.206E+00 0.123E+02
RMM: 56 0.337053855681E+03 -0.56234E+00 -0.58139E+00 91874 0.181E+00 0.124E+02
RMM: 57 0.336313168499E+03 -0.74069E+00 -0.57935E+00106102 0.300E+00 0.139E+02
RMM: 58 0.334345620489E+03 -0.19675E+01 -0.62385E+00106084 0.305E+00 0.150E+02
RMM: 59 0.331046221552E+03 -0.32994E+01 -0.67350E+00106086 0.451E+00 0.165E+02
RMM: 60 0.329803384207E+03 -0.12428E+01 -0.48833E+00105325 0.227E+00
30 F= 0.32980338E+03 E0= 0.32980929E+03 d E =-.617714E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.181260998283E+04 0.14816E+04 -0.63477E+04102282 0.113E+03 0.219E+03
RMM: 2 0.124879713339E+04 -0.56381E+03 -0.97645E+03 93553 0.668E+02 0.129E+03
RMM: 3 0.913313450647E+03 -0.33548E+03 -0.35839E+03 96323 0.304E+02 0.700E+02
RMM: 4 0.787912017847E+03 -0.12540E+03 -0.14370E+03 96397 0.191E+02 0.369E+02
RMM: 5 0.741603283140E+03 -0.46309E+02 -0.83831E+02 94173 0.104E+02 0.332E+02
RMM: 6 0.714628100567E+03 -0.26975E+02 -0.53001E+02 91245 0.737E+01 0.155E+02
RMM: 7 0.681555965233E+03 -0.33072E+02 -0.34203E+02 94444 0.438E+01 0.119E+02
RMM: 8 0.657652734733E+03 -0.23903E+02 -0.23606E+02 96735 0.333E+01 0.131E+02
RMM: 9 0.635715151390E+03 -0.21938E+02 -0.19872E+02 97157 0.263E+01 0.152E+02
RMM: 10 0.624419237151E+03 -0.11296E+02 -0.13162E+02 86831 0.254E+01 0.130E+02
RMM: 11 0.608634639471E+03 -0.15785E+02 -0.90021E+01 83742 0.217E+01 0.183E+02
RMM: 12 0.601347228345E+03 -0.72874E+01 -0.45252E+01 87391 0.154E+01 0.217E+02
RMM: 13 0.599184729534E+03 -0.21625E+01 -0.25967E+01 91742 0.114E+01 0.240E+02
RMM: 14 0.597307967349E+03 -0.18768E+01 -0.16443E+01 94670 0.875E+00 0.263E+02
RMM: 15 0.595618175078E+03 -0.16898E+01 -0.11958E+01 93689 0.688E+00 0.281E+02
RMM: 16 0.594106656600E+03 -0.15115E+01 -0.81973E+00 89154 0.577E+00 0.298E+02
RMM: 17 0.590963650369E+03 -0.31430E+01 -0.65314E+00 86768 0.516E+00 0.316E+02
RMM: 18 0.590541626498E+03 -0.42202E+00 -0.41765E+00 86086 0.424E+00 0.325E+02
RMM: 19 0.574103462760E+03 -0.16438E+02 -0.81645E+00 99828 0.938E+00 0.356E+02
RMM: 20 0.566751710078E+03 -0.73518E+01 -0.44559E+00 93518 0.582E+00 0.374E+02
RMM: 21 0.568096660829E+03 0.13450E+01 -0.20627E+00 81648 0.367E+00 0.378E+02
RMM: 22 0.563017113365E+03 -0.50795E+01 -0.22676E+00 89254 0.368E+00 0.390E+02
RMM: 23 0.562338054005E+03 -0.67906E+00 -0.11413E+00 90299 0.227E+00 0.394E+02
RMM: 24 0.561802405701E+03 -0.53565E+00 -0.10068E+00 88859 0.167E+00 0.397E+02
RMM: 25 0.561910731922E+03 0.10833E+00 -0.60818E-01 85495 0.135E+00 0.399E+02
RMM: 26 0.562949490371E+03 0.10388E+01 -0.49652E-01 82373 0.127E+00 0.398E+02
RMM: 27 0.562918699580E+03 -0.30791E-01 -0.32867E-01 84597 0.891E-01 0.400E+02
RMM: 28 0.562529443818E+03 -0.38926E+00 -0.28447E-01 95670 0.133E+00 0.408E+02
RMM: 29 0.563769490405E+03 0.12400E+01 -0.19910E-01 95828 0.124E+00 0.414E+02
RMM: 30 0.563240697214E+03 -0.52879E+00 -0.13367E-01 73037 0.712E-01 0.414E+02
RMM: 31 0.565653914249E+03 0.24132E+01 -0.13214E-01 99764 0.138E+00 0.414E+02
RMM: 32 0.570052704611E+03 0.43988E+01 -0.29050E-01103259 0.204E+00 0.407E+02
RMM: 33 0.578127382382E+03 0.80747E+01 -0.90846E-01104922 0.392E+00 0.399E+02
RMM: 34 0.594133671669E+03 0.16006E+02 -0.40555E+00105682 0.830E+00 0.388E+02
RMM: 35 0.594411122725E+03 0.27745E+00 -0.29127E-01101509 0.175E+00 0.387E+02
RMM: 36 0.598003932272E+03 0.35928E+01 -0.46476E-01103445 0.264E+00 0.384E+02
RMM: 37 0.602524100139E+03 0.45202E+01 -0.77241E-01103851 0.301E+00 0.375E+02
RMM: 38 0.605178585566E+03 0.26545E+01 -0.32015E-01102066 0.214E+00 0.372E+02
RMM: 39 0.603142534590E+03 -0.20361E+01 -0.88438E-02 99559 0.174E+00 0.374E+02
RMM: 40 0.610695963579E+03 0.75534E+01 -0.13587E+00105575 0.505E+00 0.358E+02
RMM: 41 0.610381891216E+03 -0.31407E+00 -0.10267E-01 95272 0.116E+00 0.357E+02
RMM: 42 0.610331166251E+03 -0.50725E-01 -0.45689E-02 91700 0.542E-01 0.357E+02
RMM: 43 0.608959109222E+03 -0.13721E+01 -0.40567E-02 98589 0.103E+00 0.360E+02
RMM: 44 0.616995989763E+03 0.80369E+01 -0.18780E+00105810 0.603E+00 0.344E+02
RMM: 45 0.616648880807E+03 -0.34711E+00 -0.10717E-01 97729 0.124E+00 0.343E+02
RMM: 46 0.616694336727E+03 0.45456E-01 -0.42536E-02 93832 0.568E-01 0.343E+02
RMM: 47 0.611687310237E+03 -0.50070E+01 -0.87238E-01105374 0.424E+00 0.359E+02
RMM: 48 0.617838636579E+03 0.61513E+01 -0.88770E-01105804 0.466E+00 0.339E+02
RMM: 49 0.617829592760E+03 -0.90438E-02 -0.71165E-02 99444 0.105E+00 0.338E+02
RMM: 50 0.617988338365E+03 0.15875E+00 -0.28527E-02 92208 0.580E-01 0.337E+02
RMM: 51 0.618079105347E+03 0.90767E-01 -0.13325E-02 90276 0.351E-01 0.336E+02
RMM: 52 0.627809322468E+03 0.97302E+01 -0.20461E+01105790 0.186E+01 0.300E+02
RMM: 53 0.628135307818E+03 0.32599E+00 -0.13537E+00105993 0.373E+00 0.295E+02
RMM: 54 0.627915864464E+03 -0.21944E+00 -0.38853E-01 98445 0.168E+00 0.295E+02
RMM: 55 0.627938135012E+03 0.22271E-01 -0.15988E-01 94300 0.107E+00 0.294E+02
RMM: 56 0.627886272023E+03 -0.51863E-01 -0.78937E-02 98661 0.776E-01 0.292E+02
RMM: 57 0.629225115339E+03 0.13388E+01 -0.37476E+00106146 0.104E+01 0.290E+02
RMM: 58 0.628913929666E+03 -0.31119E+00 -0.24796E-01104944 0.242E+00 0.287E+02
RMM: 59 0.628211990955E+03 -0.70194E+00 -0.23083E-01105514 0.205E+00 0.290E+02
RMM: 60 0.628661756262E+03 0.44977E+00 -0.32546E-01106038 0.253E+00
31 F= 0.62866176E+03 E0= 0.62865724E+03 d E =0.298858E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.114685656888E+04 0.51864E+03 -0.51751E+04 94035 0.114E+03 0.189E+03
RMM: 2 0.887320296530E+03 -0.25954E+03 -0.70759E+03 93002 0.568E+02 0.118E+03
RMM: 3 0.628454919485E+03 -0.25887E+03 -0.30040E+03101812 0.271E+02 0.564E+02
RMM: 4 0.529797969589E+03 -0.98657E+02 -0.13186E+03101959 0.177E+02 0.354E+02
RMM: 5 0.488077037316E+03 -0.41721E+02 -0.75372E+02 94961 0.115E+02 0.208E+02
RMM: 6 0.445928206718E+03 -0.42149E+02 -0.50305E+02 96278 0.705E+01 0.145E+02
RMM: 7 0.412062007517E+03 -0.33866E+02 -0.32378E+02 97677 0.513E+01 0.159E+02
RMM: 8 0.383743928769E+03 -0.28318E+02 -0.26667E+02 99915 0.389E+01 0.229E+02
RMM: 9 0.367515410665E+03 -0.16229E+02 -0.22055E+02 93844 0.344E+01 0.193E+02
RMM: 10 0.345387655070E+03 -0.22128E+02 -0.19483E+02 95058 0.273E+01 0.272E+02
RMM: 11 0.327133532948E+03 -0.18254E+02 -0.17009E+02 95858 0.230E+01 0.333E+02
RMM: 12 0.308486209251E+03 -0.18647E+02 -0.14960E+02 90480 0.207E+01 0.405E+02
RMM: 13 0.295827242210E+03 -0.12659E+02 -0.12423E+02 86742 0.175E+01 0.445E+02
RMM: 14 0.283856000090E+03 -0.11971E+02 -0.10873E+02 92053 0.142E+01 0.473E+02
RMM: 15 0.272927676458E+03 -0.10928E+02 -0.90071E+01 86071 0.124E+01 0.496E+02
RMM: 16 0.264661834660E+03 -0.82658E+01 -0.65945E+01 86082 0.978E+00 0.516E+02
RMM: 17 0.259730187700E+03 -0.49316E+01 -0.43303E+01 87080 0.700E+00 0.528E+02
RMM: 18 0.255819574273E+03 -0.39106E+01 -0.26264E+01 87034 0.508E+00 0.538E+02
RMM: 19 0.254360300410E+03 -0.14593E+01 -0.13850E+01 88605 0.334E+00 0.543E+02
RMM: 20 0.253902324010E+03 -0.45798E+00 -0.68633E+00 78953 0.235E+00 0.545E+02
RMM: 21 0.252985110365E+03 -0.91721E+00 -0.39313E+00 76127 0.181E+00 0.548E+02
RMM: 22 0.251672424942E+03 -0.13127E+01 -0.24795E+00 82122 0.154E+00 0.553E+02
RMM: 23 0.251427636093E+03 -0.24479E+00 -0.15520E+00 86573 0.104E+00 0.554E+02
RMM: 24 0.249488022778E+03 -0.19396E+01 -0.11428E+00 94742 0.150E+00 0.561E+02
RMM: 25 0.248723434362E+03 -0.76459E+00 -0.77836E-01 87748 0.102E+00 0.564E+02
RMM: 26 0.248447157721E+03 -0.27628E+00 -0.58049E-01 85105 0.651E-01 0.566E+02
RMM: 27 0.245826083405E+03 -0.26211E+01 -0.44679E-01101512 0.138E+00 0.574E+02
RMM: 28 0.244691915501E+03 -0.11342E+01 -0.23936E-01 96190 0.852E-01 0.577E+02
RMM: 29 0.244557322760E+03 -0.13459E+00 -0.14331E-01 86725 0.574E-01 0.577E+02
RMM: 30 0.244627855343E+03 0.70533E-01 -0.11172E-01 97493 0.818E-01 0.575E+02
RMM: 31 0.242053221264E+03 -0.25746E+01 -0.27283E-01105461 0.227E+00 0.578E+02
RMM: 32 0.239695239039E+03 -0.23580E+01 -0.14527E-01104182 0.129E+00 0.583E+02
RMM: 33 0.239503459766E+03 -0.19178E+00 -0.31754E-02 82920 0.342E-01 0.584E+02
RMM: 34 0.239745820065E+03 0.24236E+00 -0.26415E-02 87760 0.476E-01 0.583E+02
RMM: 35 0.240622374105E+03 0.87655E+00 -0.18980E-02 90560 0.484E-01 0.581E+02
RMM: 36 0.242264391153E+03 0.16420E+01 -0.51632E-02103341 0.966E-01 0.577E+02
RMM: 37 0.240856293769E+03 -0.14081E+01 -0.24749E-02 98280 0.708E-01 0.581E+02
RMM: 38 0.240784368032E+03 -0.71926E-01 -0.47219E-03 81674 0.129E-01 0.581E+02
RMM: 39 0.243380533888E+03 0.25962E+01 -0.56426E-02104414 0.104E+00 0.574E+02
RMM: 40 0.247571012219E+03 0.41905E+01 -0.30479E-01105638 0.243E+00 0.563E+02
RMM: 41 0.248987661288E+03 0.14166E+01 -0.35915E-01105642 0.255E+00 0.558E+02
RMM: 42 0.248286510976E+03 -0.70115E+00 -0.48813E-02104812 0.112E+00 0.561E+02
RMM: 43 0.248155881172E+03 -0.13063E+00 -0.50054E-03 86953 0.234E-01 0.562E+02
RMM: 44 0.248233841972E+03 0.77961E-01 -0.12949E-03 72723 0.114E-01 0.561E+02
RMM: 45 0.248241251621E+03 0.74096E-02 -0.51277E-04 54942 0.469E-02 0.561E+02
RMM: 46 0.249544190025E+03 0.13029E+01 -0.26853E-02105360 0.685E-01 0.556E+02
RMM: 47 0.250060519513E+03 0.51633E+00 -0.50634E-02105636 0.108E+00 0.553E+02
RMM: 48 0.250560428405E+03 0.49991E+00 -0.47683E-02105632 0.109E+00 0.551E+02
RMM: 49 0.250755618481E+03 0.19519E+00 -0.45725E-03100179 0.221E-01 0.550E+02
RMM: 50 0.250738102924E+03 -0.17516E-01 -0.43673E-03102716 0.317E-01 0.550E+02
RMM: 51 0.250333782223E+03 -0.40432E+00 -0.29271E-03101661 0.280E-01 0.551E+02
RMM: 52 0.281645617673E+03 0.31312E+02 -0.17885E+01105640 0.198E+01 0.379E+02
RMM: 53 0.283913283265E+03 0.22677E+01 -0.13097E+00105908 0.346E+00 0.352E+02
RMM: 54 0.283920563142E+03 0.72799E-02 -0.13304E-01105896 0.924E-01 0.355E+02
RMM: 55 0.283946240901E+03 0.25678E-01 -0.28332E-02 88962 0.243E-01 0.355E+02
RMM: 56 0.283759553297E+03 -0.18669E+00 -0.49280E-03 85729 0.161E-01 0.356E+02
RMM: 57 0.298793954772E+03 0.15034E+02 -0.42349E+01105952 0.273E+01 0.223E+02
RMM: 58 0.298623686740E+03 -0.17027E+00 -0.22661E+00106020 0.426E+00 0.214E+02
RMM: 59 0.298627204702E+03 0.35180E-02 -0.29129E-01105438 0.107E+00 0.214E+02
RMM: 60 0.299172462321E+03 0.54526E+00 -0.10127E-01106024 0.905E-01
32 F= 0.29917246E+03 E0= 0.29917537E+03 d E =-.329489E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.167669998055E+04 0.13781E+04 -0.62864E+04 98883 0.116E+03 0.186E+03
RMM: 2 0.108765268945E+04 -0.58905E+03 -0.91187E+03 92561 0.664E+02 0.119E+03
RMM: 3 0.845829493594E+03 -0.24182E+03 -0.28007E+03 98943 0.288E+02 0.708E+02
RMM: 4 0.771303232159E+03 -0.74526E+02 -0.90846E+02100661 0.182E+02 0.493E+02
RMM: 5 0.737736378274E+03 -0.33567E+02 -0.57718E+02 98244 0.111E+02 0.311E+02
RMM: 6 0.709454089351E+03 -0.28282E+02 -0.44502E+02 94922 0.874E+01 0.116E+02
RMM: 7 0.681400719006E+03 -0.28053E+02 -0.28129E+02 95295 0.618E+01 0.156E+02
RMM: 8 0.660649641762E+03 -0.20751E+02 -0.22182E+02100335 0.461E+01 0.192E+02
RMM: 9 0.639809409316E+03 -0.20840E+02 -0.18692E+02101490 0.401E+01 0.250E+02
RMM: 10 0.623644413112E+03 -0.16165E+02 -0.16743E+02 99597 0.370E+01 0.247E+02
RMM: 11 0.600909995164E+03 -0.22734E+02 -0.17305E+02 96193 0.373E+01 0.304E+02
RMM: 12 0.583073957563E+03 -0.17836E+02 -0.16825E+02100317 0.333E+01 0.359E+02
RMM: 13 0.569088485691E+03 -0.13985E+02 -0.16111E+02 93088 0.318E+01 0.373E+02
RMM: 14 0.554816707563E+03 -0.14272E+02 -0.14453E+02 96010 0.276E+01 0.420E+02
RMM: 15 0.541113842987E+03 -0.13703E+02 -0.13715E+02 96827 0.246E+01 0.442E+02
RMM: 16 0.530166215515E+03 -0.10948E+02 -0.12365E+02 94402 0.223E+01 0.477E+02
RMM: 17 0.518097322249E+03 -0.12069E+02 -0.11055E+02 91779 0.201E+01 0.495E+02
RMM: 18 0.507471487917E+03 -0.10626E+02 -0.95512E+01 92328 0.178E+01 0.528E+02
RMM: 19 0.498671270461E+03 -0.88002E+01 -0.84839E+01 93953 0.155E+01 0.549E+02
RMM: 20 0.486056335121E+03 -0.12615E+02 -0.76139E+01 82814 0.151E+01 0.579E+02
RMM: 21 0.480332574065E+03 -0.57238E+01 -0.62130E+01 86156 0.122E+01 0.599E+02
RMM: 22 0.474832735876E+03 -0.54998E+01 -0.51469E+01 91367 0.978E+00 0.621E+02
RMM: 23 0.468896969260E+03 -0.59358E+01 -0.38980E+01 81191 0.853E+00 0.632E+02
RMM: 24 0.466386730338E+03 -0.25102E+01 -0.25581E+01 85075 0.637E+00 0.643E+02
RMM: 25 0.465409293992E+03 -0.97744E+00 -0.16897E+01 81109 0.505E+00 0.647E+02
RMM: 26 0.463639697644E+03 -0.17696E+01 -0.13006E+01 77010 0.443E+00 0.660E+02
RMM: 27 0.461866202157E+03 -0.17735E+01 -0.10721E+01 76333 0.377E+00 0.659E+02
RMM: 28 0.461448251236E+03 -0.41795E+00 -0.78112E+00 84196 0.291E+00 0.657E+02
RMM: 29 0.462411733043E+03 0.96348E+00 -0.58964E+00 81095 0.299E+00 0.664E+02
RMM: 30 0.461966931210E+03 -0.44480E+00 -0.42741E+00 82223 0.195E+00 0.670E+02
RMM: 31 0.463530323560E+03 0.15634E+01 -0.34663E+00 91118 0.238E+00 0.680E+02
RMM: 32 0.463747520484E+03 0.21720E+00 -0.31526E+00 85494 0.130E+00 0.681E+02
RMM: 33 0.462690895566E+03 -0.10566E+01 -0.26597E+00102253 0.278E+00 0.708E+02
RMM: 34 0.462336315420E+03 -0.35458E+00 -0.18427E+00101935 0.259E+00 0.734E+02
RMM: 35 0.458773608553E+03 -0.35627E+01 -0.13977E+00100286 0.242E+00 0.742E+02
RMM: 36 0.458579364078E+03 -0.19424E+00 -0.10721E+00 87212 0.721E-01 0.744E+02
RMM: 37 0.458321826631E+03 -0.25754E+00 -0.13095E+00 81360 0.554E-01 0.744E+02
RMM: 38 0.456987831357E+03 -0.13340E+01 -0.12556E+00 87706 0.714E-01 0.750E+02
RMM: 39 0.456051211764E+03 -0.93662E+00 -0.53090E-01 86866 0.585E-01 0.753E+02
RMM: 40 0.457007040622E+03 0.95583E+00 -0.23522E-01 86041 0.611E-01 0.752E+02
RMM: 41 0.457946675686E+03 0.93964E+00 -0.18404E-01 85295 0.450E-01 0.748E+02
RMM: 42 0.458560982329E+03 0.61431E+00 -0.23939E-01 96494 0.903E-01 0.746E+02
RMM: 43 0.458815908374E+03 0.25493E+00 -0.22302E-01 90281 0.757E-01 0.742E+02
RMM: 44 0.459259985443E+03 0.44408E+00 -0.20061E-01 92676 0.843E-01 0.744E+02
RMM: 45 0.459376129031E+03 0.11614E+00 -0.24880E-01 91457 0.638E-01 0.746E+02
RMM: 46 0.459674877599E+03 0.29875E+00 -0.29826E-01 92475 0.598E-01 0.749E+02
RMM: 47 0.469740559728E+03 0.10066E+02 -0.19320E+00105718 0.737E+00 0.757E+02
RMM: 48 0.470564755375E+03 0.82420E+00 -0.30188E-01103284 0.115E+00 0.754E+02
RMM: 49 0.471943268104E+03 0.13785E+01 -0.25704E-01 95915 0.745E-01 0.747E+02
RMM: 50 0.470994727830E+03 -0.94854E+00 -0.11317E-01 90927 0.672E-01 0.751E+02
RMM: 51 0.471998279347E+03 0.10036E+01 -0.41074E-02 86905 0.491E-01 0.745E+02
RMM: 52 0.469813724744E+03 -0.21846E+01 -0.11282E+00105768 0.686E+00 0.827E+02
RMM: 53 0.469603402032E+03 -0.21032E+00 -0.63425E-02102688 0.977E-01 0.828E+02
RMM: 54 0.469694457425E+03 0.91055E-01 -0.13221E-02 91887 0.388E-01 0.828E+02
RMM: 55 0.469288041389E+03 -0.40642E+00 -0.13214E-02 85739 0.313E-01 0.829E+02
RMM: 56 0.469317385241E+03 0.29344E-01 -0.58113E-02104859 0.122E+00 0.830E+02
RMM: 57 0.504082197787E+03 0.34765E+02 -0.30015E+01105754 0.268E+01 0.721E+02
RMM: 58 0.517723859194E+03 0.13642E+02 -0.43660E+00105866 0.714E+00 0.605E+02
RMM: 59 0.519132301930E+03 0.14084E+01 -0.50081E-01105772 0.210E+00 0.566E+02
RMM: 60 0.518515128958E+03 -0.61717E+00 -0.12661E-01 99880 0.120E+00
33 F= 0.51851513E+03 E0= 0.51851275E+03 d E =0.219343E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.153553506168E+04 0.10164E+04 -0.56352E+04 94596 0.126E+03 0.260E+03
RMM: 2 0.101307917928E+04 -0.52246E+03 -0.75989E+03 88051 0.611E+02 0.178E+03
RMM: 3 0.742330638559E+03 -0.27075E+03 -0.28397E+03 94566 0.253E+02 0.342E+02
RMM: 4 0.687805945539E+03 -0.54525E+02 -0.10484E+03 90563 0.158E+02 0.408E+02
RMM: 5 0.615691967180E+03 -0.72114E+02 -0.61005E+02 97140 0.772E+01 0.551E+02
RMM: 6 0.575038144779E+03 -0.40654E+02 -0.38857E+02 96201 0.542E+01 0.543E+02
RMM: 7 0.585503144657E+03 0.10465E+02 -0.25899E+02 88787 0.405E+01 0.444E+02
RMM: 8 0.597516050777E+03 0.12013E+02 -0.16619E+02 86531 0.324E+01 0.390E+02
RMM: 9 0.600388681870E+03 0.28726E+01 -0.89097E+01 87559 0.200E+01 0.361E+02
RMM: 10 0.588741512416E+03 -0.11647E+02 -0.43271E+01 80654 0.140E+01 0.392E+02
RMM: 11 0.600024265491E+03 0.11283E+02 -0.17516E+01 78758 0.130E+01 0.358E+02
RMM: 12 0.617779636133E+03 0.17755E+02 -0.17084E+01 82291 0.147E+01 0.288E+02
RMM: 13 0.617946882406E+03 0.16725E+00 -0.43447E+00 87593 0.619E+00 0.281E+02
RMM: 14 0.624805016675E+03 0.68581E+01 -0.49009E+00 79354 0.813E+00 0.230E+02
RMM: 15 0.631393698825E+03 0.65887E+01 -0.74848E+00 85013 0.978E+00 0.162E+02
RMM: 16 0.631398978447E+03 0.52796E-02 -0.12046E+00 87906 0.325E+00 0.158E+02
RMM: 17 0.631923940208E+03 0.52496E+00 -0.80209E-01 83753 0.230E+00 0.152E+02
RMM: 18 0.634368371121E+03 0.24444E+01 -0.49588E+00 97181 0.891E+00 0.106E+02
RMM: 19 0.634387908414E+03 0.19537E-01 -0.14889E+00 86007 0.341E+00 0.911E+01
RMM: 20 0.634361522909E+03 -0.26386E-01 -0.24245E-01 87960 0.136E+00 0.899E+01
RMM: 21 0.634200003921E+03 -0.16152E+00 -0.44620E-01 80766 0.210E+00 0.860E+01
RMM: 22 0.634143468569E+03 -0.56535E-01 -0.12568E-01 81473 0.992E-01 0.871E+01
RMM: 23 0.634257086740E+03 0.11362E+00 -0.90374E-02 76589 0.109E+00 0.811E+01
RMM: 24 0.634590478389E+03 0.33339E+00 -0.27225E-01 91891 0.216E+00 0.674E+01
RMM: 25 0.634842406679E+03 0.25193E+00 -0.12269E-01 86596 0.123E+00 0.582E+01
RMM: 26 0.634879548637E+03 0.37142E-01 -0.93701E-02 84133 0.140E+00 0.523E+01
RMM: 27 0.634927055947E+03 0.47507E-01 -0.15112E-02 72423 0.580E-01 0.511E+01
RMM: 28 0.634997445571E+03 0.70390E-01 -0.61888E-02 85277 0.884E-01 0.424E+01
RMM: 29 0.635118407440E+03 0.12096E+00 -0.47844E-02 85979 0.902E-01 0.324E+01
RMM: 30 0.635217343124E+03 0.98936E-01 -0.57564E-02 87251 0.804E-01 0.249E+01
RMM: 31 0.635227465233E+03 0.10122E-01 -0.10210E-02 83714 0.328E-01 0.225E+01
RMM: 32 0.635254363609E+03 0.26898E-01 -0.12244E-02 80377 0.477E-01 0.177E+01
RMM: 33 0.635282003245E+03 0.27640E-01 -0.44568E-02 97423 0.950E-01 0.761E+00
RMM: 34 0.635284834583E+03 0.28313E-02 -0.64420E-03 82572 0.307E-01 0.612E+00
RMM: 35 0.635285808165E+03 0.97358E-03 -0.27865E-03 81375 0.204E-01 0.550E+00
RMM: 36 0.635288802167E+03 0.29940E-02 -0.21728E-03 79983 0.165E-01 0.407E+00
RMM: 37 0.635290245273E+03 0.14431E-02 -0.28604E-03 78905 0.182E-01 0.288E+00
RMM: 38 0.635289969755E+03 -0.27552E-03 -0.21845E-03 80844 0.241E-01 0.181E+00
RMM: 39 0.635290640012E+03 0.67026E-03 -0.67385E-04 74444 0.116E-01 0.141E+00
RMM: 40 0.635290683228E+03 0.43216E-04 -0.44315E-04 67894 0.711E-02 0.821E-01
RMM: 41 0.635290589495E+03 -0.93732E-04 -0.58244E-04 80059 0.127E-01 0.529E-01
RMM: 42 0.635290714157E+03 0.12466E-03 -0.10636E-04 54557 0.563E-02 0.333E-01
RMM: 43 0.635290729181E+03 0.15024E-04 -0.71119E-05 48769 0.371E-02 0.163E-01
RMM: 44 0.635290714687E+03 -0.14494E-04 -0.22362E-05 38765 0.321E-02 0.224E-01
RMM: 45 0.635290726703E+03 0.12016E-04 -0.18180E-05 36977 0.263E-02 0.134E-01
RMM: 46 0.635290723138E+03 -0.35658E-05 -0.88744E-06 35653 0.217E-02
34 F= 0.63529072E+03 E0= 0.63528959E+03 d E =0.116776E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.111282577674E+04 0.47754E+03 -0.42249E+04 86721 0.120E+03 0.214E+03
RMM: 2 0.992355586046E+03 -0.12047E+03 -0.45143E+03 95269 0.496E+02 0.137E+03
RMM: 3 0.832729283768E+03 -0.15963E+03 -0.18465E+03101228 0.268E+02 0.495E+02
RMM: 4 0.780244046775E+03 -0.52485E+02 -0.75346E+02101545 0.178E+02 0.307E+02
RMM: 5 0.766045498165E+03 -0.14199E+02 -0.42989E+02102029 0.121E+02 0.266E+02
RMM: 6 0.755095231153E+03 -0.10950E+02 -0.30376E+02 99818 0.921E+01 0.191E+02
RMM: 7 0.739342094263E+03 -0.15753E+02 -0.26271E+02100449 0.721E+01 0.833E+01
RMM: 8 0.724197339262E+03 -0.15145E+02 -0.17283E+02101143 0.561E+01 0.600E+01
RMM: 9 0.712079046860E+03 -0.12118E+02 -0.13219E+02102592 0.473E+01 0.564E+01
RMM: 10 0.701860481091E+03 -0.10219E+02 -0.11578E+02101331 0.416E+01 0.424E+01
RMM: 11 0.693378253489E+03 -0.84822E+01 -0.85007E+01102027 0.384E+01 0.492E+01
RMM: 12 0.686447014088E+03 -0.69312E+01 -0.74404E+01102333 0.342E+01 0.432E+01
RMM: 13 0.679586525559E+03 -0.68605E+01 -0.67508E+01102828 0.322E+01 0.571E+01
RMM: 14 0.674115880953E+03 -0.54706E+01 -0.58548E+01 98711 0.316E+01 0.524E+01
RMM: 15 0.666951988439E+03 -0.71639E+01 -0.62097E+01 95976 0.324E+01 0.919E+01
RMM: 16 0.655275559524E+03 -0.11676E+02 -0.75873E+01 98430 0.325E+01 0.146E+02
RMM: 17 0.650895113226E+03 -0.43804E+01 -0.57141E+01 98094 0.292E+01 0.156E+02
RMM: 18 0.644863377956E+03 -0.60317E+01 -0.56615E+01102236 0.268E+01 0.170E+02
RMM: 19 0.640384561145E+03 -0.44788E+01 -0.48951E+01 99839 0.257E+01 0.184E+02
RMM: 20 0.639346507264E+03 -0.10381E+01 -0.42286E+01 96339 0.251E+01 0.177E+02
RMM: 21 0.636207932256E+03 -0.31386E+01 -0.40563E+01 98885 0.233E+01 0.177E+02
RMM: 22 0.628363700970E+03 -0.78442E+01 -0.42986E+01 94866 0.239E+01 0.197E+02
RMM: 23 0.627378327871E+03 -0.98537E+00 -0.34439E+01 94753 0.230E+01 0.201E+02
RMM: 24 0.631180869307E+03 0.38025E+01 -0.34105E+01 97585 0.234E+01 0.179E+02
RMM: 25 0.626853589037E+03 -0.43273E+01 -0.31246E+01 99393 0.206E+01 0.181E+02
RMM: 26 0.625954252324E+03 -0.89934E+00 -0.26922E+01100043 0.195E+01 0.182E+02
RMM: 27 0.623220138639E+03 -0.27341E+01 -0.27823E+01101671 0.182E+01 0.181E+02
RMM: 28 0.621667540773E+03 -0.15526E+01 -0.23559E+01 98919 0.176E+01 0.188E+02
RMM: 29 0.619518817937E+03 -0.21487E+01 -0.23054E+01100426 0.167E+01 0.188E+02
RMM: 30 0.617519950454E+03 -0.19989E+01 -0.20715E+01101595 0.161E+01 0.197E+02
RMM: 31 0.615507435049E+03 -0.20125E+01 -0.19992E+01100734 0.156E+01 0.198E+02
RMM: 32 0.613548826484E+03 -0.19586E+01 -0.18462E+01 97618 0.151E+01 0.208E+02
RMM: 33 0.611591038547E+03 -0.19578E+01 -0.18465E+01 96781 0.147E+01 0.210E+02
RMM: 34 0.609650571727E+03 -0.19405E+01 -0.17700E+01 95986 0.143E+01 0.219E+02
RMM: 35 0.607889530222E+03 -0.17610E+01 -0.17323E+01 94639 0.140E+01 0.221E+02
RMM: 36 0.606010415740E+03 -0.18791E+01 -0.16766E+01 95883 0.137E+01 0.229E+02
RMM: 37 0.604372026413E+03 -0.16384E+01 -0.16190E+01 97398 0.134E+01 0.232E+02
RMM: 38 0.602972992332E+03 -0.13990E+01 -0.15532E+01 96432 0.131E+01 0.239E+02
RMM: 39 0.601931139800E+03 -0.10419E+01 -0.14779E+01 96321 0.128E+01 0.241E+02
RMM: 40 0.600641244619E+03 -0.12899E+01 -0.14163E+01 98026 0.124E+01 0.246E+02
RMM: 41 0.599256974722E+03 -0.13843E+01 -0.13949E+01 97402 0.122E+01 0.249E+02
RMM: 42 0.598059384690E+03 -0.11976E+01 -0.13066E+01 97878 0.118E+01 0.256E+02
RMM: 43 0.596329637459E+03 -0.17297E+01 -0.12686E+01 92627 0.116E+01 0.258E+02
RMM: 44 0.595111139582E+03 -0.12185E+01 -0.11674E+01 96038 0.112E+01 0.263E+02
RMM: 45 0.593892732358E+03 -0.12184E+01 -0.11295E+01 97091 0.110E+01 0.266E+02
RMM: 46 0.593964096087E+03 0.71364E-01 -0.98104E+00 97868 0.109E+01 0.267E+02
RMM: 47 0.593561031861E+03 -0.40306E+00 -0.93907E+00 98122 0.104E+01 0.264E+02
RMM: 48 0.590305800967E+03 -0.32552E+01 -0.10159E+01102320 0.108E+01 0.277E+02
RMM: 49 0.588978098732E+03 -0.13277E+01 -0.85867E+00 99040 0.102E+01 0.282E+02
RMM: 50 0.587865611279E+03 -0.11125E+01 -0.82666E+00 99896 0.986E+00 0.287E+02
RMM: 51 0.588003029893E+03 0.13742E+00 -0.74036E+00 95276 0.981E+00 0.288E+02
RMM: 52 0.588816070617E+03 0.81304E+00 -0.70524E+00101575 0.960E+00 0.281E+02
RMM: 53 0.587828149060E+03 -0.98792E+00 -0.74741E+00 96544 0.917E+00 0.283E+02
RMM: 54 0.586118253244E+03 -0.17099E+01 -0.78259E+00 99797 0.927E+00 0.288E+02
RMM: 55 0.585341407996E+03 -0.77685E+00 -0.72756E+00 99000 0.890E+00 0.291E+02
RMM: 56 0.584591943223E+03 -0.74946E+00 -0.72755E+00 96968 0.867E+00 0.293E+02
RMM: 57 0.591941356065E+03 0.73494E+01 -0.71866E+00105442 0.120E+01 0.279E+02
RMM: 58 0.591303095373E+03 -0.63826E+00 -0.69388E+00103907 0.870E+00 0.273E+02
RMM: 59 0.590552264740E+03 -0.75083E+00 -0.65906E+00 99500 0.825E+00 0.277E+02
RMM: 60 0.589988114976E+03 -0.56415E+00 -0.64492E+00 97857 0.785E+00
35 F= 0.58998811E+03 E0= 0.58999024E+03 d E =-.453026E+02
N E dE d eps ncg rms rms(c)
DAV: 1 0.848792145848E+03 0.25824E+03 -0.40003E+04 91386 0.123E+03 0.227E+03
RMM: 2 0.566429368708E+03 -0.28236E+03 -0.38210E+03 76974 0.444E+02 0.149E+03
RMM: 3 0.439463295234E+03 -0.12697E+03 -0.14058E+03 87265 0.171E+02 0.514E+02
RMM: 4 0.435460046456E+03 -0.40032E+01 -0.28296E+02 85140 0.792E+01 0.368E+02
RMM: 5 0.438492989277E+03 0.30329E+01 -0.76074E+01 84308 0.361E+01 0.240E+02
RMM: 6 0.434024023789E+03 -0.44690E+01 -0.47292E+01 79937 0.267E+01 0.116E+02
RMM: 7 0.438118447878E+03 0.40944E+01 -0.16919E+01 72940 0.202E+01 0.566E+01
RMM: 8 0.437431660858E+03 -0.68679E+00 -0.87160E+00 82152 0.101E+01 0.436E+01
RMM: 9 0.437337594892E+03 -0.94066E-01 -0.44645E+00 84440 0.687E+00 0.264E+01
RMM: 10 0.437342774026E+03 0.51791E-02 -0.21836E+00 82459 0.437E+00 0.147E+01
RMM: 11 0.437248049482E+03 -0.94725E-01 -0.13636E+00 83530 0.264E+00 0.107E+01
RMM: 12 0.437172173622E+03 -0.75876E-01 -0.86060E-01 85786 0.201E+00 0.599E+00
RMM: 13 0.437125354661E+03 -0.46819E-01 -0.58160E-01 86539 0.133E+00 0.286E+00
RMM: 14 0.437084775402E+03 -0.40579E-01 -0.38836E-01 87806 0.945E-01 0.226E+00
RMM: 15 0.437056245724E+03 -0.28530E-01 -0.29178E-01 84773 0.738E-01 0.153E+00
RMM: 16 0.437036597465E+03 -0.19648E-01 -0.19415E-01 86336 0.554E-01 0.115E+00
RMM: 17 0.437022043316E+03 -0.14554E-01 -0.14570E-01 82118 0.456E-01 0.388E-01
RMM: 18 0.437011998949E+03 -0.10044E-01 -0.98186E-02 78866 0.363E-01 0.358E-01
RMM: 19 0.437004345495E+03 -0.76535E-02 -0.75279E-02 64172 0.276E-01 0.320E-01
RMM: 20 0.436999234056E+03 -0.51114E-02 -0.50396E-02 59872 0.219E-01 0.274E-01
RMM: 21 0.436995382407E+03 -0.38516E-02 -0.38064E-02 58706 0.180E-01 0.221E-01
RMM: 22 0.436992768024E+03 -0.26144E-02 -0.25877E-02 55638 0.154E-01 0.227E-01
RMM: 23 0.436990850771E+03 -0.19173E-02 -0.18934E-02 66733 0.138E-01 0.305E-01
RMM: 24 0.436989533848E+03 -0.13169E-02 -0.13204E-02 49571 0.107E-01 0.656E-02
RMM: 25 0.436988588923E+03 -0.94493E-03 -0.93974E-03 47749 0.752E-02 0.902E-02
RMM: 26 0.436987933375E+03 -0.65555E-03 -0.65478E-03 46062 0.624E-02 0.140E-01
RMM: 27 0.436987462596E+03 -0.47078E-03 -0.46560E-03 44257 0.498E-02 0.237E-01
RMM: 28 0.436987149739E+03 -0.31286E-03 -0.32155E-03 43532 0.430E-02 0.192E-01
RMM: 29 0.436986917188E+03 -0.23255E-03 -0.22969E-03 42881 0.356E-02 0.263E-01
RMM: 30 0.436986775575E+03 -0.14161E-03 -0.15679E-03 42309 0.354E-02 0.100E-01
RMM: 31 0.436986663735E+03 -0.11184E-03 -0.11299E-03 41354 0.310E-02 0.103E-01
RMM: 32 0.436986586819E+03 -0.76916E-04 -0.77272E-04 38285 0.212E-02 0.122E-01
RMM: 33 0.436986531718E+03 -0.55101E-04 -0.55075E-04 36442 0.184E-02 0.147E-01
RMM: 34 0.436986494426E+03 -0.37292E-04 -0.37860E-04 28817 0.137E-02 0.155E-01
RMM: 35 0.436986467863E+03 -0.26563E-04 -0.26964E-04 27568 0.124E-02 0.161E-01
RMM: 36 0.436986452374E+03 -0.15489E-04 -0.18260E-04 36243 0.117E-02 0.126E-01
RMM: 37 0.436986442189E+03 -0.10184E-04 -0.12867E-04 37446 0.118E-02 0.724E-02
RMM: 38 0.436986433907E+03 -0.82827E-05 -0.87899E-05 36883 0.124E-02
36 F= 0.43698643E+03 E0= 0.43698914E+03 d E =-.153002E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.182467517869E+04 0.13877E+04 -0.61826E+04 95115 0.119E+03 0.251E+03
RMM: 2 0.125035678065E+04 -0.57432E+03 -0.86377E+03 88712 0.640E+02 0.147E+03
RMM: 3 0.971717961970E+03 -0.27864E+03 -0.29892E+03 93859 0.270E+02 0.637E+02
RMM: 4 0.884797643250E+03 -0.86920E+02 -0.11618E+03 89213 0.167E+02 0.298E+02
RMM: 5 0.844982521108E+03 -0.39815E+02 -0.66035E+02 89502 0.882E+01 0.173E+02
RMM: 6 0.813954138125E+03 -0.31028E+02 -0.37067E+02 89819 0.483E+01 0.110E+02
RMM: 7 0.789175174626E+03 -0.24779E+02 -0.23680E+02 88346 0.293E+01 0.104E+02
RMM: 8 0.778538342818E+03 -0.10637E+02 -0.14123E+02 84537 0.250E+01 0.696E+01
RMM: 9 0.772538455844E+03 -0.59999E+01 -0.72006E+01 83891 0.150E+01 0.533E+01
RMM: 10 0.770633588609E+03 -0.19049E+01 -0.26350E+01 82758 0.108E+01 0.208E+01
RMM: 11 0.769474262560E+03 -0.11593E+01 -0.10986E+01 84203 0.574E+00 0.167E+01
RMM: 12 0.768814941391E+03 -0.65932E+00 -0.51084E+00 76464 0.363E+00 0.185E+01
RMM: 13 0.768680286139E+03 -0.13466E+00 -0.20436E+00 81739 0.203E+00 0.141E+01
RMM: 14 0.768608730849E+03 -0.71555E-01 -0.11355E+00 79553 0.150E+00 0.105E+01
RMM: 15 0.768569283028E+03 -0.39448E-01 -0.77612E-01 79458 0.187E+00 0.328E+00
RMM: 16 0.768528651181E+03 -0.40632E-01 -0.42966E-01 74521 0.934E-01 0.176E+00
RMM: 17 0.768495771387E+03 -0.32880E-01 -0.28200E-01 75319 0.666E-01 0.263E+00
RMM: 18 0.768480318670E+03 -0.15453E-01 -0.16286E-01 76189 0.472E-01 0.122E+00
RMM: 19 0.768468635519E+03 -0.11683E-01 -0.10917E-01 79819 0.308E-01 0.897E-01
RMM: 20 0.768461471908E+03 -0.71636E-02 -0.67827E-02 75391 0.264E-01 0.387E-01
RMM: 21 0.768456983900E+03 -0.44880E-02 -0.43057E-02 68822 0.176E-01 0.585E-01
RMM: 22 0.768454324445E+03 -0.26595E-02 -0.25771E-02 54885 0.110E-01 0.497E-01
RMM: 23 0.768452692101E+03 -0.16323E-02 -0.15699E-02 51524 0.814E-02 0.529E-01
RMM: 24 0.768451837838E+03 -0.85426E-03 -0.93246E-03 71098 0.103E-01 0.137E-01
RMM: 25 0.768451272162E+03 -0.56568E-03 -0.55927E-03 49564 0.565E-02 0.178E-01
RMM: 26 0.768450947639E+03 -0.32452E-03 -0.32689E-03 39810 0.484E-02 0.106E-01
RMM: 27 0.768450754136E+03 -0.19350E-03 -0.19722E-03 39158 0.338E-02 0.764E-02
RMM: 28 0.768450639158E+03 -0.11498E-03 -0.11540E-03 38400 0.242E-02 0.794E-02
RMM: 29 0.768450570446E+03 -0.68711E-04 -0.67802E-04 37777 0.163E-02 0.135E-01
RMM: 30 0.768450536019E+03 -0.34427E-04 -0.38599E-04 36866 0.173E-02 0.691E-02
RMM: 31 0.768450514037E+03 -0.21982E-04 -0.22792E-04 36188 0.114E-02 0.605E-02
RMM: 32 0.768450501726E+03 -0.12311E-04 -0.12885E-04 32735 0.953E-03 0.603E-02
RMM: 33 0.768450495150E+03 -0.65763E-05 -0.71472E-05 31841 0.749E-03
37 F= 0.76845050E+03 E0= 0.76845059E+03 d E =0.331464E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.940684186848E+03 0.17223E+03 -0.35993E+04 92502 0.130E+03 0.188E+03
RMM: 2 0.677422235947E+03 -0.26326E+03 -0.43591E+03 89422 0.427E+02 0.126E+03
RMM: 3 0.514116312487E+03 -0.16331E+03 -0.17317E+03 94471 0.182E+02 0.558E+02
RMM: 4 0.508312941312E+03 -0.58034E+01 -0.46555E+02 80202 0.111E+02 0.258E+02
RMM: 5 0.503852098641E+03 -0.44608E+01 -0.16932E+02 85291 0.533E+01 0.128E+02
RMM: 6 0.500595899954E+03 -0.32562E+01 -0.47798E+01 85267 0.293E+01 0.926E+01
RMM: 7 0.498617398521E+03 -0.19785E+01 -0.24311E+01 90983 0.176E+01 0.344E+01
RMM: 8 0.497149921292E+03 -0.14675E+01 -0.15090E+01 86294 0.124E+01 0.365E+01
RMM: 9 0.496536394955E+03 -0.61353E+00 -0.79855E+00 93074 0.815E+00 0.342E+01
RMM: 10 0.495822117409E+03 -0.71428E+00 -0.60940E+00 95659 0.551E+00 0.475E+01
RMM: 11 0.495440028603E+03 -0.38209E+00 -0.35996E+00 95284 0.450E+00 0.502E+01
RMM: 12 0.495345872726E+03 -0.94156E-01 -0.27786E+00 86136 0.447E+00 0.441E+01
RMM: 13 0.495305012387E+03 -0.40860E-01 -0.18870E+00 85577 0.379E+00 0.299E+01
RMM: 14 0.495189960402E+03 -0.11505E+00 -0.13853E+00 92069 0.259E+00 0.275E+01
RMM: 15 0.495090542545E+03 -0.99418E-01 -0.93435E-01 97103 0.187E+00 0.282E+01
RMM: 16 0.495012115057E+03 -0.78427E-01 -0.74259E-01 88266 0.154E+00 0.287E+01
RMM: 17 0.494954200554E+03 -0.57915E-01 -0.53687E-01 94459 0.121E+00 0.311E+01
RMM: 18 0.494888499690E+03 -0.65701E-01 -0.45149E-01 79705 0.115E+00 0.367E+01
RMM: 19 0.494926315437E+03 0.37816E-01 -0.31503E-01 90051 0.161E+00 0.268E+01
RMM: 20 0.494937389575E+03 0.11074E-01 -0.26794E-01 90093 0.118E+00 0.216E+01
RMM: 21 0.494931590579E+03 -0.57990E-02 -0.16574E-01 89744 0.874E-01 0.226E+01
RMM: 22 0.494924710692E+03 -0.68799E-02 -0.13223E-01 91801 0.597E-01 0.221E+01
RMM: 23 0.494925988168E+03 0.12775E-02 -0.93055E-02 86545 0.632E-01 0.225E+01
RMM: 24 0.494928702703E+03 0.27145E-02 -0.78016E-02 90341 0.640E-01 0.234E+01
RMM: 25 0.494923787458E+03 -0.49152E-02 -0.49719E-02 85321 0.423E-01 0.228E+01
RMM: 26 0.494920883848E+03 -0.29036E-02 -0.39056E-02 81434 0.377E-01 0.196E+01
RMM: 27 0.494919750518E+03 -0.11333E-02 -0.29919E-02 88282 0.379E-01 0.153E+01
RMM: 28 0.494917184836E+03 -0.25657E-02 -0.22525E-02 87358 0.246E-01 0.129E+01
RMM: 29 0.494917214106E+03 0.29270E-04 -0.16107E-02 82428 0.199E-01 0.114E+01
RMM: 30 0.494920088397E+03 0.28743E-02 -0.13026E-02 90944 0.265E-01 0.824E+00
RMM: 31 0.494919184276E+03 -0.90412E-03 -0.90217E-03 79038 0.143E-01 0.833E+00
RMM: 32 0.494918568065E+03 -0.61621E-03 -0.64557E-03 62073 0.110E-01 0.830E+00
RMM: 33 0.494917830948E+03 -0.73712E-03 -0.50965E-03 53632 0.870E-02 0.863E+00
RMM: 34 0.494917743157E+03 -0.87791E-04 -0.36101E-03 51892 0.766E-02 0.798E+00
RMM: 35 0.494919237575E+03 0.14944E-02 -0.34658E-03 98695 0.165E-01 0.443E+00
RMM: 36 0.494919567638E+03 0.33006E-03 -0.24992E-03 95089 0.131E-01 0.197E+00
RMM: 37 0.494919481882E+03 -0.85756E-04 -0.15079E-03 68935 0.781E-02 0.133E+00
RMM: 38 0.494919369422E+03 -0.11246E-03 -0.10900E-03 54206 0.598E-02 0.121E+00
RMM: 39 0.494919337916E+03 -0.31507E-04 -0.83925E-04 58275 0.557E-02 0.863E-01
RMM: 40 0.494919275526E+03 -0.62390E-04 -0.67035E-04 66511 0.636E-02 0.814E-01
RMM: 41 0.494919239056E+03 -0.36470E-04 -0.45349E-04 47334 0.471E-02 0.771E-01
RMM: 42 0.494919206547E+03 -0.32509E-04 -0.32274E-04 44405 0.353E-02 0.776E-01
RMM: 43 0.494919184310E+03 -0.22237E-04 -0.24144E-04 42272 0.299E-02 0.753E-01
RMM: 44 0.494919168760E+03 -0.15550E-04 -0.17307E-04 40776 0.233E-02 0.725E-01
RMM: 45 0.494919155915E+03 -0.12845E-04 -0.13184E-04 39722 0.200E-02 0.721E-01
RMM: 46 0.494919148255E+03 -0.76604E-05 -0.94665E-05 37559 0.164E-02
38 F= 0.49491915E+03 E0= 0.49491888E+03 d E =-.273531E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.168811346371E+04 0.11932E+04 -0.65585E+04 96363 0.114E+03 0.218E+03
RMM: 2 0.111833898168E+04 -0.56977E+03 -0.90647E+03 87846 0.661E+02 0.137E+03
RMM: 3 0.793392824696E+03 -0.32495E+03 -0.37168E+03 93282 0.304E+02 0.604E+02
RMM: 4 0.664500383236E+03 -0.12889E+03 -0.14430E+03 94458 0.193E+02 0.432E+02
RMM: 5 0.620258486796E+03 -0.44242E+02 -0.80602E+02 93415 0.109E+02 0.310E+02
RMM: 6 0.588360633050E+03 -0.31898E+02 -0.60908E+02 86702 0.982E+01 0.920E+01
RMM: 7 0.555968671796E+03 -0.32392E+02 -0.33187E+02 86486 0.574E+01 0.816E+01
RMM: 8 0.528290835779E+03 -0.27678E+02 -0.26916E+02 95231 0.389E+01 0.112E+02
RMM: 9 0.501452704813E+03 -0.26838E+02 -0.24011E+02 96235 0.326E+01 0.159E+02
RMM: 10 0.477422971224E+03 -0.24030E+02 -0.22177E+02 92568 0.295E+01 0.199E+02
RMM: 11 0.452192409699E+03 -0.25231E+02 -0.21837E+02 89847 0.282E+01 0.251E+02
RMM: 12 0.439402475237E+03 -0.12790E+02 -0.18986E+02 81383 0.259E+01 0.264E+02
RMM: 13 0.416472630639E+03 -0.22930E+02 -0.17898E+02 84172 0.202E+01 0.335E+02
RMM: 14 0.403377068919E+03 -0.13096E+02 -0.13588E+02 87781 0.162E+01 0.374E+02
RMM: 15 0.401002720057E+03 -0.23743E+01 -0.79683E+01 82147 0.127E+01 0.376E+02
RMM: 16 0.398562175741E+03 -0.24405E+01 -0.34716E+01 84988 0.729E+00 0.391E+02
RMM: 17 0.400191963196E+03 0.16298E+01 -0.13917E+01 82048 0.519E+00 0.383E+02
RMM: 18 0.399214278007E+03 -0.97769E+00 -0.62451E+00 79452 0.293E+00 0.389E+02
RMM: 19 0.398934188231E+03 -0.28009E+00 -0.31758E+00 82971 0.188E+00 0.391E+02
RMM: 20 0.399827571615E+03 0.89338E+00 -0.17362E+00 79684 0.206E+00 0.387E+02
RMM: 21 0.405635748564E+03 0.58082E+01 -0.15012E+00 94862 0.365E+00 0.357E+02
RMM: 22 0.406161789864E+03 0.52604E+00 -0.62838E-01 85651 0.111E+00 0.354E+02
RMM: 23 0.406294990295E+03 0.13320E+00 -0.38107E-01 78820 0.110E+00 0.353E+02
RMM: 24 0.413150907292E+03 0.68559E+01 -0.11037E+00101714 0.383E+00 0.318E+02
RMM: 25 0.417529806500E+03 0.43789E+01 -0.82021E-01 98521 0.279E+00 0.290E+02
RMM: 26 0.417553102785E+03 0.23296E-01 -0.14752E-01 85670 0.637E-01 0.288E+02
RMM: 27 0.417510594464E+03 -0.42508E-01 -0.82267E-02 81233 0.326E-01 0.288E+02
RMM: 28 0.417841334921E+03 0.33074E+00 -0.60017E-02 80568 0.468E-01 0.284E+02
RMM: 29 0.417754847921E+03 -0.86487E-01 -0.30290E-02 70391 0.340E-01 0.284E+02
RMM: 30 0.418082593787E+03 0.32775E+00 -0.48118E-02 95173 0.664E-01 0.282E+02
RMM: 31 0.409437582616E+03 -0.86450E+01 -0.16150E+00105988 0.535E+00 0.328E+02
RMM: 32 0.420565884454E+03 0.11128E+02 -0.21281E+00105880 0.663E+00 0.266E+02
RMM: 33 0.420048429391E+03 -0.51746E+00 -0.89066E-02 97379 0.861E-01 0.267E+02
RMM: 34 0.419739645733E+03 -0.30878E+00 -0.12451E-02 77241 0.290E-01 0.269E+02
RMM: 35 0.419851856420E+03 0.11221E+00 -0.48654E-03 74978 0.143E-01 0.268E+02
RMM: 36 0.421344944634E+03 0.14931E+01 -0.62184E-02103835 0.958E-01 0.256E+02
RMM: 37 0.426531133609E+03 0.51862E+01 -0.11088E+00105988 0.434E+00 0.237E+02
RMM: 38 0.427375315078E+03 0.84418E+00 -0.25091E-01105113 0.165E+00 0.249E+02
RMM: 39 0.426901996974E+03 -0.47332E+00 -0.34801E-02100211 0.759E-01 0.241E+02
RMM: 40 0.427812956208E+03 0.91096E+00 -0.10220E-01104274 0.129E+00 0.254E+02
RMM: 41 0.427946308495E+03 0.13335E+00 -0.25609E-02103101 0.533E-01 0.258E+02
RMM: 42 0.429541345360E+03 0.15950E+01 -0.33564E-01105976 0.247E+00 0.247E+02
RMM: 43 0.429704620330E+03 0.16327E+00 -0.45565E-02 98775 0.492E-01 0.246E+02
RMM: 44 0.430104601382E+03 0.39998E+00 -0.62944E-02103251 0.942E-01 0.246E+02
RMM: 45 0.430965914155E+03 0.86131E+00 -0.39092E-01105766 0.244E+00 0.244E+02
RMM: 46 0.430980748472E+03 0.14834E-01 -0.37699E-02 95453 0.407E-01 0.244E+02
RMM: 47 0.431988037478E+03 0.10073E+01 -0.74627E-01105792 0.360E+00 0.238E+02
RMM: 48 0.431648077520E+03 -0.33996E+00 -0.12040E-01104537 0.164E+00 0.237E+02
RMM: 49 0.432064868726E+03 0.41679E+00 -0.14686E-01104985 0.167E+00 0.239E+02
RMM: 50 0.431949372724E+03 -0.11550E+00 -0.22043E-02100439 0.477E-01 0.238E+02
RMM: 51 0.431985341385E+03 0.35969E-01 -0.34217E-03 77756 0.139E-01 0.238E+02
RMM: 52 0.398650009428E+03 -0.33335E+02 -0.73098E+01105802 0.336E+01 0.449E+02
RMM: 53 0.401690437711E+03 0.30404E+01 -0.51953E+00105736 0.554E+00 0.444E+02
RMM: 54 0.401850174469E+03 0.15974E+00 -0.97112E-01103162 0.149E+00 0.445E+02
RMM: 55 0.403450301515E+03 0.16001E+01 -0.26575E-01105523 0.124E+00 0.440E+02
RMM: 56 0.404051766824E+03 0.60147E+00 -0.11452E-01103796 0.985E-01 0.434E+02
RMM: 57 0.387286585409E+03 -0.16765E+02 -0.43783E+00105824 0.755E+00 0.497E+02
RMM: 58 0.391432207130E+03 0.41456E+01 -0.44518E-01105950 0.247E+00 0.478E+02
RMM: 59 0.390346773671E+03 -0.10854E+01 -0.14388E-01104839 0.107E+00 0.478E+02
RMM: 60 0.395657883197E+03 0.53111E+01 -0.23365E-01105738 0.178E+00
39 F= 0.39565788E+03 E0= 0.39566128E+03 d E =-.992613E+02
N E dE d eps ncg rms rms(c)
DAV: 1 0.216695129567E+04 0.17766E+04 -0.70196E+04 95976 0.116E+03 0.329E+03
RMM: 2 0.134912294588E+04 -0.81783E+03 -0.10981E+04 89941 0.712E+02 0.206E+03
RMM: 3 0.949922822672E+03 -0.39920E+03 -0.39958E+03 89981 0.287E+02 0.105E+03
RMM: 4 0.875658723809E+03 -0.74264E+02 -0.12473E+03 82178 0.181E+02 0.508E+02
RMM: 5 0.868891031599E+03 -0.67677E+01 -0.44922E+02 84732 0.829E+01 0.262E+02
RMM: 6 0.858925979697E+03 -0.99651E+01 -0.14601E+02 86516 0.417E+01 0.893E+01
RMM: 7 0.855250541800E+03 -0.36754E+01 -0.58425E+01 79580 0.294E+01 0.812E+01
RMM: 8 0.852249872368E+03 -0.30007E+01 -0.32220E+01 90479 0.149E+01 0.530E+01
RMM: 9 0.851116260592E+03 -0.11336E+01 -0.15151E+01 86514 0.102E+01 0.189E+01
RMM: 10 0.850196734871E+03 -0.91953E+00 -0.89958E+00 91459 0.690E+00 0.158E+01
RMM: 11 0.849611835440E+03 -0.58490E+00 -0.58769E+00 90229 0.490E+00 0.100E+01
RMM: 12 0.849205219102E+03 -0.40662E+00 -0.39898E+00 89806 0.377E+00 0.557E+00
RMM: 13 0.848931206656E+03 -0.27401E+00 -0.26497E+00 90410 0.278E+00 0.439E+00
RMM: 14 0.848740624380E+03 -0.19058E+00 -0.18599E+00 90506 0.220E+00 0.328E+00
RMM: 15 0.848606102718E+03 -0.13452E+00 -0.13037E+00 88655 0.175E+00 0.151E+00
RMM: 16 0.848510291404E+03 -0.95811E-01 -0.93451E-01 88221 0.139E+00 0.211E+00
RMM: 17 0.848442351615E+03 -0.67940E-01 -0.66293E-01 85111 0.112E+00 0.126E+00
RMM: 18 0.848393941071E+03 -0.48411E-01 -0.47141E-01 82300 0.981E-01 0.184E+00
RMM: 19 0.848357252517E+03 -0.36689E-01 -0.35803E-01 73556 0.842E-01 0.219E+00
RMM: 20 0.848332703785E+03 -0.24549E-01 -0.24587E-01 71167 0.632E-01 0.179E+00
RMM: 21 0.848314033424E+03 -0.18670E-01 -0.18549E-01 68091 0.485E-01 0.162E+00
RMM: 22 0.848300912722E+03 -0.13121E-01 -0.12992E-01 60978 0.399E-01 0.190E+00
RMM: 23 0.848290444532E+03 -0.10468E-01 -0.99301E-02 66275 0.345E-01 0.284E+00
RMM: 24 0.848284718056E+03 -0.57265E-02 -0.67497E-02 87688 0.349E-01 0.123E+00
RMM: 25 0.848279471640E+03 -0.52464E-02 -0.52213E-02 61837 0.239E-01 0.118E+00
RMM: 26 0.848275924135E+03 -0.35475E-02 -0.35470E-02 54403 0.199E-01 0.118E+00
RMM: 27 0.848273182601E+03 -0.27415E-02 -0.27369E-02 52011 0.160E-01 0.129E+00
RMM: 28 0.848271461123E+03 -0.17215E-02 -0.18667E-02 69185 0.157E-01 0.743E-01
RMM: 29 0.848270016894E+03 -0.14442E-02 -0.14334E-02 49117 0.126E-01 0.875E-01
RMM: 30 0.848268971529E+03 -0.10454E-02 -0.99142E-03 47328 0.968E-02 0.107E+00
RMM: 31 0.848268218516E+03 -0.75301E-03 -0.74789E-03 46210 0.790E-02 0.117E+00
RMM: 32 0.848267737439E+03 -0.48108E-03 -0.51761E-03 45482 0.650E-02 0.107E+00
RMM: 33 0.848267356571E+03 -0.38087E-03 -0.38740E-03 44634 0.537E-02 0.111E+00
RMM: 34 0.848267076314E+03 -0.28026E-03 -0.27009E-03 43673 0.446E-02 0.115E+00
RMM: 35 0.848266965133E+03 -0.11118E-03 -0.19819E-03 45658 0.514E-02 0.950E-01
RMM: 36 0.848266851554E+03 -0.11358E-03 -0.13942E-03 43051 0.456E-02 0.877E-01
RMM: 37 0.848266762225E+03 -0.89329E-04 -0.10014E-03 42149 0.419E-02 0.898E-01
RMM: 38 0.848266696489E+03 -0.65736E-04 -0.70789E-04 41483 0.324E-02 0.883E-01
RMM: 39 0.848266642080E+03 -0.54410E-04 -0.50821E-04 40610 0.275E-02 0.909E-01
RMM: 40 0.848266610029E+03 -0.32051E-04 -0.35910E-04 40316 0.216E-02 0.972E-01
RMM: 41 0.848266601299E+03 -0.87302E-05 -0.26017E-04 40083 0.245E-02 0.102E+00
RMM: 42 0.848266587249E+03 -0.14050E-04 -0.18489E-04 39460 0.250E-02 0.104E+00
RMM: 43 0.848266576892E+03 -0.10357E-04 -0.13140E-04 38849 0.204E-02 0.107E+00
RMM: 44 0.848266569172E+03 -0.77197E-05 -0.91928E-05 38243 0.190E-02
40 F= 0.84826657E+03 E0= 0.84826877E+03 d E =0.452609E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.121043622821E+04 0.36217E+03 -0.53875E+04 83703 0.118E+03 0.356E+03
RMM: 2 0.920471966842E+03 -0.28996E+03 -0.66104E+03 97628 0.555E+02 0.226E+03
RMM: 3 0.638882409190E+03 -0.28159E+03 -0.31739E+03102202 0.325E+02 0.381E+02
RMM: 4 0.554644344580E+03 -0.84238E+02 -0.14342E+03 99441 0.226E+02 0.353E+02
RMM: 5 0.504443318873E+03 -0.50201E+02 -0.81925E+02100468 0.126E+02 0.359E+02
RMM: 6 0.457478319127E+03 -0.46965E+02 -0.49494E+02102619 0.822E+01 0.458E+02
RMM: 7 0.422288446440E+03 -0.35190E+02 -0.37775E+02101637 0.735E+01 0.376E+02
RMM: 8 0.407388933892E+03 -0.14900E+02 -0.26515E+02 98311 0.582E+01 0.454E+02
RMM: 9 0.392618511917E+03 -0.14770E+02 -0.19706E+02101774 0.478E+01 0.484E+02
RMM: 10 0.381503284920E+03 -0.11115E+02 -0.16397E+02100672 0.411E+01 0.529E+02
RMM: 11 0.354482650485E+03 -0.27021E+02 -0.14033E+02 97553 0.405E+01 0.587E+02
RMM: 12 0.335380992021E+03 -0.19102E+02 -0.13004E+02 98539 0.352E+01 0.650E+02
RMM: 13 0.308435431459E+03 -0.26946E+02 -0.11870E+02 97865 0.341E+01 0.709E+02
RMM: 14 0.283924406182E+03 -0.24511E+02 -0.11250E+02 98177 0.311E+01 0.727E+02
RMM: 15 0.302264216828E+03 0.18340E+02 -0.87397E+01 91654 0.363E+01 0.628E+02
RMM: 16 0.272016171229E+03 -0.30248E+02 -0.90261E+01 90257 0.319E+01 0.713E+02
RMM: 17 0.247406760149E+03 -0.24609E+02 -0.99637E+01 94288 0.279E+01 0.751E+02
RMM: 18 0.226566635302E+03 -0.20840E+02 -0.88336E+01 96045 0.261E+01 0.783E+02
RMM: 19 0.214597295590E+03 -0.11969E+02 -0.80378E+01 97714 0.233E+01 0.801E+02
RMM: 20 0.221746179008E+03 0.71489E+01 -0.66744E+01 90247 0.239E+01 0.779E+02
RMM: 21 0.224860908042E+03 0.31147E+01 -0.61293E+01 92238 0.222E+01 0.771E+02
RMM: 22 0.248363028531E+03 0.23502E+02 -0.66867E+01 98536 0.284E+01 0.725E+02
RMM: 23 0.244711611193E+03 -0.36514E+01 -0.57132E+01 95826 0.207E+01 0.728E+02
RMM: 24 0.239631185396E+03 -0.50804E+01 -0.55943E+01 96851 0.183E+01 0.737E+02
RMM: 25 0.239992083530E+03 0.36090E+00 -0.57036E+01 92352 0.187E+01 0.730E+02
RMM: 26 0.234574669049E+03 -0.54174E+01 -0.54511E+01 95952 0.164E+01 0.738E+02
RMM: 27 0.228748315850E+03 -0.58264E+01 -0.52903E+01 94069 0.152E+01 0.748E+02
RMM: 28 0.223684049323E+03 -0.50643E+01 -0.49036E+01 95763 0.141E+01 0.754E+02
RMM: 29 0.223661188102E+03 -0.22861E-01 -0.44405E+01 91021 0.146E+01 0.747E+02
RMM: 30 0.220445774123E+03 -0.32154E+01 -0.36957E+01 92118 0.126E+01 0.750E+02
RMM: 31 0.218777891799E+03 -0.16679E+01 -0.31265E+01 91263 0.120E+01 0.748E+02
RMM: 32 0.216881248474E+03 -0.18966E+01 -0.26826E+01 92189 0.110E+01 0.747E+02
RMM: 33 0.214644059902E+03 -0.22372E+01 -0.23960E+01 91258 0.110E+01 0.745E+02
RMM: 34 0.211984170619E+03 -0.26599E+01 -0.19977E+01 85562 0.105E+01 0.749E+02
RMM: 35 0.208626405359E+03 -0.33578E+01 -0.18328E+01 85411 0.958E+00 0.756E+02
RMM: 36 0.206787688395E+03 -0.18387E+01 -0.17804E+01 92809 0.890E+00 0.758E+02
RMM: 37 0.205650250415E+03 -0.11374E+01 -0.17552E+01 84399 0.861E+00 0.758E+02
RMM: 38 0.203869518312E+03 -0.17807E+01 -0.17481E+01 92457 0.885E+00 0.758E+02
RMM: 39 0.194994293482E+03 -0.88752E+01 -0.17826E+01103567 0.106E+01 0.774E+02
RMM: 40 0.209974457527E+03 0.14980E+02 -0.19499E+01104498 0.132E+01 0.737E+02
RMM: 41 0.208090416503E+03 -0.18840E+01 -0.17583E+01 98011 0.840E+00 0.737E+02
RMM: 42 0.206890214006E+03 -0.12002E+01 -0.17373E+01 92693 0.797E+00 0.737E+02
RMM: 43 0.203123134945E+03 -0.37671E+01 -0.16889E+01 92967 0.808E+00 0.742E+02
RMM: 44 0.201738804375E+03 -0.13843E+01 -0.16873E+01 86954 0.736E+00 0.743E+02
RMM: 45 0.200783235043E+03 -0.95557E+00 -0.16064E+01 87386 0.716E+00 0.742E+02
RMM: 46 0.198714768219E+03 -0.20685E+01 -0.15877E+01 80246 0.684E+00 0.745E+02
RMM: 47 0.275209330753E+03 0.76495E+02 -0.30114E+02105636 0.805E+01 0.437E+02
RMM: 48 0.267210251879E+03 -0.79991E+01 -0.69636E+01105642 0.235E+01 0.439E+02
RMM: 49 0.263889419800E+03 -0.33208E+01 -0.36866E+01103567 0.160E+01 0.436E+02
RMM: 50 0.262190598628E+03 -0.16988E+01 -0.27292E+01101770 0.120E+01 0.435E+02
RMM: 51 0.259304524022E+03 -0.28861E+01 -0.23496E+01 95556 0.103E+01 0.437E+02
RMM: 52 0.245525678066E+03 -0.13779E+02 -0.23851E+01105684 0.136E+01 0.468E+02
RMM: 53 0.242353810380E+03 -0.31719E+01 -0.20664E+01105244 0.104E+01 0.477E+02
RMM: 54 0.240209642096E+03 -0.21442E+01 -0.19664E+01100437 0.838E+00 0.480E+02
RMM: 55 0.238267438353E+03 -0.19422E+01 -0.18957E+01 95811 0.781E+00 0.484E+02
RMM: 56 0.235849030830E+03 -0.24184E+01 -0.18893E+01 94299 0.721E+00 0.487E+02
RMM: 57 0.212488854849E+03 -0.23360E+02 -0.40113E+01105666 0.230E+01 0.542E+02
RMM: 58 0.217845932464E+03 0.53571E+01 -0.21218E+01105656 0.111E+01 0.535E+02
RMM: 59 0.214854801815E+03 -0.29911E+01 -0.17579E+01102106 0.752E+00 0.539E+02
RMM: 60 0.209914133782E+03 -0.49407E+01 -0.16912E+01104220 0.727E+00
41 F= 0.20991413E+03 E0= 0.20991719E+03 d E =-.638352E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.142649731035E+04 0.12116E+04 -0.61634E+04 93561 0.112E+03 0.268E+03
RMM: 2 0.857212258407E+03 -0.56929E+03 -0.87195E+03 85454 0.652E+02 0.194E+03
RMM: 3 0.526241503383E+03 -0.33097E+03 -0.35350E+03 88799 0.273E+02 0.686E+02
RMM: 4 0.448159690109E+03 -0.78082E+02 -0.12375E+03 84073 0.184E+02 0.432E+02
RMM: 5 0.423646481325E+03 -0.24513E+02 -0.62929E+02 86434 0.967E+01 0.230E+02
RMM: 6 0.398789312636E+03 -0.24857E+02 -0.31078E+02 85571 0.504E+01 0.989E+01
RMM: 7 0.383830541727E+03 -0.14959E+02 -0.16757E+02 80151 0.312E+01 0.113E+02
RMM: 8 0.378098434746E+03 -0.57321E+01 -0.73213E+01 86852 0.173E+01 0.125E+02
RMM: 9 0.373352533475E+03 -0.47459E+01 -0.35042E+01 86004 0.967E+00 0.212E+02
RMM: 10 0.375801126593E+03 0.24486E+01 -0.19726E+01 78279 0.148E+01 0.587E+01
RMM: 11 0.375337463400E+03 -0.46366E+00 -0.79705E+00 84147 0.624E+00 0.350E+01
RMM: 12 0.374869201873E+03 -0.46826E+00 -0.38852E+00 88240 0.284E+00 0.340E+01
RMM: 13 0.374577990224E+03 -0.29121E+00 -0.21734E+00 88677 0.144E+00 0.407E+01
RMM: 14 0.374492587496E+03 -0.85403E-01 -0.13050E+00 77012 0.235E+00 0.150E+01
RMM: 15 0.374462889989E+03 -0.29698E-01 -0.73647E-01 80926 0.121E+00 0.109E+01
RMM: 16 0.374414461626E+03 -0.48428E-01 -0.44171E-01 86702 0.676E-01 0.918E+00
RMM: 17 0.374381240693E+03 -0.33221E-01 -0.27715E-01 86212 0.359E-01 0.953E+00
RMM: 18 0.374359377562E+03 -0.21863E-01 -0.17402E-01 78611 0.246E-01 0.988E+00
RMM: 19 0.374350440996E+03 -0.89366E-02 -0.10967E-01 78140 0.314E-01 0.815E+00
RMM: 20 0.374346888049E+03 -0.35529E-02 -0.10382E-01102505 0.850E-01 0.636E+00
RMM: 21 0.374342859037E+03 -0.40290E-02 -0.45749E-02 80542 0.201E-01 0.595E+00
RMM: 22 0.374340715280E+03 -0.21438E-02 -0.23419E-02 63819 0.104E-01 0.575E+00
RMM: 23 0.374339606755E+03 -0.11085E-02 -0.14099E-02 49417 0.686E-02 0.555E+00
RMM: 24 0.374340088729E+03 0.48197E-03 -0.79758E-03 55039 0.724E-02 0.506E+00
RMM: 25 0.374342619808E+03 0.25311E-02 -0.67413E-03 96970 0.173E-01 0.381E+00
RMM: 26 0.374342946839E+03 0.32703E-03 -0.37530E-03 86193 0.107E-01 0.295E+00
RMM: 27 0.374342977561E+03 0.30722E-04 -0.17784E-03 61248 0.580E-02 0.209E+00
RMM: 28 0.374343046723E+03 0.69162E-04 -0.12972E-03 85681 0.108E-01 0.659E-01
RMM: 29 0.374343019921E+03 -0.26802E-04 -0.51474E-04 40276 0.385E-02 0.446E-01
RMM: 30 0.374343005705E+03 -0.14217E-04 -0.24486E-04 42299 0.418E-02 0.340E-01
RMM: 31 0.374342998574E+03 -0.71302E-05 -0.13279E-04 37454 0.291E-02 0.266E-01
RMM: 32 0.374343001606E+03 0.30315E-05 -0.72738E-05 36966 0.219E-02
42 F= 0.37434300E+03 E0= 0.37434343E+03 d E =0.164429E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.189782052311E+04 0.15235E+04 -0.73314E+04 99216 0.101E+03 0.285E+03
RMM: 2 0.130574571153E+04 -0.59207E+03 -0.10488E+04 88262 0.730E+02 0.185E+03
RMM: 3 0.966744418185E+03 -0.33900E+03 -0.40406E+03 94593 0.318E+02 0.664E+02
RMM: 4 0.855764885922E+03 -0.11098E+03 -0.14684E+03 94003 0.205E+02 0.424E+02
RMM: 5 0.824879774223E+03 -0.30885E+02 -0.77097E+02 90410 0.113E+02 0.336E+02
RMM: 6 0.775739943674E+03 -0.49140E+02 -0.60043E+02 88132 0.893E+01 0.149E+02
RMM: 7 0.742259302306E+03 -0.33481E+02 -0.38722E+02 78918 0.844E+01 0.269E+02
RMM: 8 0.706556862512E+03 -0.35702E+02 -0.33369E+02 93548 0.478E+01 0.434E+02
RMM: 9 0.675374782062E+03 -0.31182E+02 -0.28432E+02 94219 0.344E+01 0.555E+02
RMM: 10 0.649295604989E+03 -0.26079E+02 -0.23621E+02 93584 0.277E+01 0.683E+02
RMM: 11 0.627245542480E+03 -0.22050E+02 -0.19736E+02 92602 0.216E+01 0.784E+02
RMM: 12 0.616853430727E+03 -0.10392E+02 -0.13566E+02 83617 0.176E+01 0.858E+02
RMM: 13 0.606281761087E+03 -0.10572E+02 -0.88673E+01 84807 0.126E+01 0.939E+02
RMM: 14 0.605173383606E+03 -0.11084E+01 -0.57078E+01 81948 0.117E+01 0.986E+02
RMM: 15 0.596332487621E+03 -0.88409E+01 -0.40707E+01 81855 0.984E+00 0.105E+03
RMM: 16 0.590058343826E+03 -0.62741E+01 -0.23485E+01 84346 0.829E+00 0.111E+03
RMM: 17 0.596526348789E+03 0.64680E+01 -0.10027E+01 73215 0.687E+00 0.111E+03
RMM: 18 0.583879605727E+03 -0.12647E+02 -0.63748E+00 86171 0.891E+00 0.118E+03
RMM: 19 0.589510801210E+03 0.56312E+01 -0.31782E+00 75024 0.646E+00 0.116E+03
RMM: 20 0.599403324099E+03 0.98925E+01 -0.76084E+00 99047 0.125E+01 0.109E+03
RMM: 21 0.587334360686E+03 -0.12069E+02 -0.22031E+00 83415 0.693E+00 0.111E+03
RMM: 22 0.580132708505E+03 -0.72017E+01 -0.17433E+00 83097 0.459E+00 0.114E+03
RMM: 23 0.576121604372E+03 -0.40111E+01 -0.94197E-01 81248 0.275E+00 0.115E+03
RMM: 24 0.579584115526E+03 0.34625E+01 -0.27294E-01 67632 0.198E+00 0.115E+03
RMM: 25 0.531733015848E+03 -0.47851E+02 -0.12299E+01104810 0.168E+01 0.126E+03
RMM: 26 0.534572717122E+03 0.28397E+01 -0.13763E+00 84227 0.349E+00 0.127E+03
RMM: 27 0.537840914151E+03 0.32682E+01 -0.56483E-01 80395 0.208E+00 0.127E+03
RMM: 28 0.545156558902E+03 0.73156E+01 -0.39918E-01 86404 0.250E+00 0.125E+03
RMM: 29 0.538578644333E+03 -0.65779E+01 -0.29970E-01 74809 0.222E+00 0.127E+03
RMM: 30 0.529650289982E+03 -0.89284E+01 -0.69227E-01 91703 0.275E+00 0.130E+03
RMM: 31 0.537142889759E+03 0.74926E+01 -0.18454E-01 78649 0.228E+00 0.128E+03
RMM: 32 0.560719520846E+03 0.23577E+02 -0.24087E+00103670 0.672E+00 0.120E+03
RMM: 33 0.590704735882E+03 0.29985E+02 -0.53833E+00104434 0.929E+00 0.108E+03
RMM: 34 0.596850314382E+03 0.61456E+01 -0.10924E+00 91663 0.272E+00 0.105E+03
RMM: 35 0.617669127231E+03 0.20819E+02 -0.41458E+00104224 0.822E+00 0.934E+02
RMM: 36 0.617309697422E+03 -0.35943E+00 -0.49793E-01 88162 0.154E+00 0.931E+02
RMM: 37 0.625271583193E+03 0.79619E+01 -0.82589E-01 98895 0.345E+00 0.871E+02
RMM: 38 0.624473605077E+03 -0.79798E+00 -0.95076E-02 76669 0.853E-01 0.877E+02
RMM: 39 0.623480318539E+03 -0.99329E+00 -0.25532E-02 76282 0.481E-01 0.885E+02
RMM: 40 0.626334504400E+03 0.28542E+01 -0.12202E-01 98699 0.176E+00 0.875E+02
RMM: 41 0.627410341421E+03 0.10758E+01 -0.53019E-02 86955 0.891E-01 0.863E+02
RMM: 42 0.623102514295E+03 -0.43078E+01 -0.20843E-01100794 0.203E+00 0.908E+02
RMM: 43 0.628582324620E+03 0.54798E+01 -0.21367E-01102042 0.227E+00 0.871E+02
RMM: 44 0.629480378424E+03 0.89805E+00 -0.78702E-02 88626 0.748E-01 0.866E+02
RMM: 45 0.627354045066E+03 -0.21263E+01 -0.10690E-01 93940 0.115E+00 0.897E+02
RMM: 46 0.631244062335E+03 0.38900E+01 -0.12217E-01 98245 0.173E+00 0.871E+02
RMM: 47 0.646580547275E+03 0.15336E+02 -0.24733E+00105796 0.677E+00 0.718E+02
RMM: 48 0.646482061388E+03 -0.98486E-01 -0.15665E-01 94219 0.120E+00 0.717E+02
RMM: 49 0.646238520348E+03 -0.24354E+00 -0.21596E-02 83253 0.397E-01 0.717E+02
RMM: 50 0.647614978718E+03 0.13765E+01 -0.47516E-02 93910 0.841E-01 0.701E+02
RMM: 51 0.647174364215E+03 -0.44061E+00 -0.65725E-03 72700 0.396E-01 0.707E+02
RMM: 52 -0.721341959883E+03 -0.13685E+04 -0.21959E+03105798 0.175E+02 0.310E+03
RMM: 53 -0.546795488383E+03 0.17455E+03 -0.53299E+02105330 0.591E+01 0.297E+03
RMM: 54 -0.522540924238E+03 0.24255E+02 -0.29091E+02105244 0.318E+01 0.296E+03
RMM: 55 -0.508906209833E+03 0.13635E+02 -0.21919E+02105226 0.239E+01 0.296E+03
RMM: 56 -0.460797815251E+03 0.48108E+02 -0.17368E+02105230 0.194E+01 0.292E+03
RMM: 57 0.664665253396E+03 0.11255E+04 -0.11200E+03105246 0.171E+02 0.760E+02
RMM: 58 0.672982308415E+03 0.83171E+01 -0.19717E+02105440 0.415E+01 0.435E+02
RMM: 59 0.660336214507E+03 -0.12646E+02 -0.28733E+01105504 0.166E+01 0.381E+02
RMM: 60 0.632617258503E+03 -0.27719E+02 -0.16313E+01105516 0.132E+01
43 F= 0.63261726E+03 E0= 0.63262143E+03 d E =0.258274E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.755464965319E+03 0.95129E+02 -0.49784E+04 91323 0.134E+03 0.227E+03
RMM: 2 0.416775626878E+03 -0.33869E+03 -0.50883E+03 79785 0.505E+02 0.155E+03
RMM: 3 0.258405881177E+03 -0.15837E+03 -0.18856E+03 89164 0.184E+02 0.356E+02
RMM: 4 0.226413689363E+03 -0.31992E+02 -0.52406E+02 84060 0.107E+02 0.280E+02
RMM: 5 0.253004492634E+03 0.26591E+02 -0.11766E+02 77714 0.577E+01 0.188E+02
RMM: 6 0.223714448093E+03 -0.29290E+02 -0.90596E+01 80818 0.290E+01 0.940E+01
RMM: 7 0.238386987181E+03 0.14673E+02 -0.82044E+01 71679 0.549E+01 0.465E+01
RMM: 8 0.243325237550E+03 0.49383E+01 -0.22215E+01 75089 0.218E+01 0.565E+01
RMM: 9 0.247249085304E+03 0.39238E+01 -0.11631E+01 80134 0.118E+01 0.299E+01
RMM: 10 0.248299541958E+03 0.10505E+01 -0.57219E+00 82381 0.707E+00 0.243E+01
RMM: 11 0.248324585568E+03 0.25044E-01 -0.31765E+00 82259 0.530E+00 0.172E+01
RMM: 12 0.248379294431E+03 0.54709E-01 -0.13358E+00 77864 0.433E+00 0.141E+01
RMM: 13 0.248136856293E+03 -0.24244E+00 -0.11431E+00 81430 0.267E+00 0.120E+01
RMM: 14 0.248304590407E+03 0.16773E+00 -0.56228E-01 78087 0.281E+00 0.719E+00
RMM: 15 0.248286509683E+03 -0.18081E-01 -0.37250E-01 77424 0.177E+00 0.363E+00
RMM: 16 0.248264645776E+03 -0.21864E-01 -0.22941E-01 81464 0.105E+00 0.429E+00
RMM: 17 0.248254418700E+03 -0.10227E-01 -0.14698E-01 88632 0.609E-01 0.498E+00
RMM: 18 0.248247611629E+03 -0.68071E-02 -0.93032E-02 85486 0.429E-01 0.437E+00
RMM: 19 0.248241358301E+03 -0.62533E-02 -0.66895E-02 81579 0.298E-01 0.513E+00
RMM: 20 0.248237798606E+03 -0.35597E-02 -0.54555E-02 82299 0.406E-01 0.770E+00
RMM: 21 0.248233551137E+03 -0.42475E-02 -0.34922E-02 78724 0.225E-01 0.102E+01
RMM: 22 0.248234887290E+03 0.13362E-02 -0.27513E-02 84483 0.343E-01 0.680E+00
RMM: 23 0.248234109892E+03 -0.77740E-03 -0.15424E-02 81614 0.239E-01 0.432E+00
RMM: 24 0.248232994555E+03 -0.11153E-02 -0.11099E-02 82537 0.193E-01 0.138E+00
RMM: 25 0.248232720239E+03 -0.27432E-03 -0.67116E-03 72895 0.117E-01 0.137E+00
RMM: 26 0.248232671185E+03 -0.49053E-04 -0.56895E-03 69811 0.144E-01 0.705E-01
RMM: 27 0.248232307289E+03 -0.36390E-03 -0.31016E-03 58755 0.773E-02 0.702E-01
RMM: 28 0.248232163134E+03 -0.14416E-03 -0.21286E-03 57924 0.741E-02 0.294E-01
RMM: 29 0.248231999878E+03 -0.16326E-03 -0.13633E-03 47741 0.500E-02 0.425E-01
RMM: 30 0.248231944208E+03 -0.55670E-04 -0.89399E-04 44354 0.415E-02 0.283E-01
RMM: 31 0.248231905063E+03 -0.39145E-04 -0.56359E-04 43230 0.281E-02 0.310E-01
RMM: 32 0.248231889528E+03 -0.15535E-04 -0.38318E-04 43271 0.302E-02 0.161E-01
RMM: 33 0.248231870997E+03 -0.18531E-04 -0.22735E-04 42027 0.225E-02 0.108E-01
RMM: 34 0.248231856627E+03 -0.14371E-04 -0.15238E-04 41222 0.206E-02 0.199E-01
RMM: 35 0.248231848854E+03 -0.77727E-05 -0.88300E-05 39407 0.179E-02
44 F= 0.24823185E+03 E0= 0.24823231E+03 d E =-.384385E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.507956005549E+03 0.25972E+03 -0.32008E+04 85326 0.110E+03 0.203E+03
RMM: 2 0.263813318379E+03 -0.24414E+03 -0.38426E+03 90220 0.379E+02 0.143E+03
RMM: 3 0.151769051330E+03 -0.11204E+03 -0.11842E+03 93300 0.160E+02 0.314E+02
RMM: 4 0.148605861394E+03 -0.31632E+01 -0.52321E+02 87437 0.897E+01 0.202E+02
RMM: 5 0.150116544586E+03 0.15107E+01 -0.22053E+02 90098 0.458E+01 0.164E+02
RMM: 6 0.151883623990E+03 0.17671E+01 -0.98153E+01 87522 0.293E+01 0.141E+02
RMM: 7 0.150017194499E+03 -0.18664E+01 -0.46912E+01 89081 0.156E+01 0.130E+02
RMM: 8 0.143948681189E+03 -0.60685E+01 -0.36901E+01 81983 0.155E+01 0.118E+02
RMM: 9 0.145126778971E+03 0.11781E+01 -0.16644E+01 84012 0.120E+01 0.105E+02
RMM: 10 0.146254311889E+03 0.11275E+01 -0.17562E+01 84503 0.140E+01 0.689E+01
RMM: 11 0.146015360276E+03 -0.23895E+00 -0.59387E+00 86647 0.556E+00 0.590E+01
RMM: 12 0.145788780458E+03 -0.22658E+00 -0.32019E+00 91510 0.244E+00 0.562E+01
RMM: 13 0.145576970561E+03 -0.21181E+00 -0.17054E+00 90458 0.131E+00 0.571E+01
RMM: 14 0.145641639849E+03 0.64669E-01 -0.12277E+00 80191 0.193E+00 0.428E+01
RMM: 15 0.145619137759E+03 -0.22502E-01 -0.12982E+00 88770 0.287E+00 0.182E+01
RMM: 16 0.145515794138E+03 -0.10334E+00 -0.61146E-01 84795 0.133E+00 0.188E+01
RMM: 17 0.145552486157E+03 0.36692E-01 -0.26829E-01 78196 0.101E+00 0.176E+01
RMM: 18 0.145558247649E+03 0.57615E-02 -0.15496E-01 81443 0.666E-01 0.130E+01
RMM: 19 0.145563451386E+03 0.52037E-02 -0.89017E-02 82555 0.492E-01 0.969E+00
RMM: 20 0.145567487301E+03 0.40359E-02 -0.55471E-02 84286 0.442E-01 0.857E+00
RMM: 21 0.145567905441E+03 0.41814E-03 -0.28691E-02 81494 0.293E-01 0.662E+00
RMM: 22 0.145568909468E+03 0.10040E-02 -0.17411E-02 81057 0.239E-01 0.478E+00
RMM: 23 0.145570393731E+03 0.14843E-02 -0.96652E-03 84845 0.222E-01 0.301E+00
RMM: 24 0.145570422074E+03 0.28343E-04 -0.61741E-03 83292 0.202E-01 0.170E+00
RMM: 25 0.145570228034E+03 -0.19404E-03 -0.27389E-03 81374 0.131E-01 0.112E+00
RMM: 26 0.145570118730E+03 -0.10930E-03 -0.10287E-03 73786 0.746E-02 0.124E+00
RMM: 27 0.145570052374E+03 -0.66356E-04 -0.36893E-04 70518 0.762E-02 0.143E+00
RMM: 28 0.145570353309E+03 0.30093E-03 -0.11921E-04 64229 0.634E-02 0.756E-01
RMM: 29 0.145570378043E+03 0.24734E-04 0.30620E-05 50208 0.398E-02 0.768E-01
RMM: 30 0.145570512782E+03 0.13474E-03 -0.26365E-05 67851 0.642E-02 0.120E-01
RMM: 31 0.145570531161E+03 0.18379E-04 0.91454E-05 38008 0.329E-02 0.114E-01
RMM: 32 0.145570545741E+03 0.14580E-04 0.98241E-05 35958 0.272E-02 0.942E-02
RMM: 33 0.145570557114E+03 0.11373E-04 0.71164E-05 35523 0.155E-02 0.610E-02
RMM: 34 0.145570568005E+03 0.10891E-04 0.69894E-05 35231 0.161E-02 0.221E-02
RMM: 35 0.145570574027E+03 0.60226E-05 0.44999E-05 34924 0.150E-02
45 F= 0.14557057E+03 E0= 0.14557246E+03 d E =-.102661E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.178659002224E+04 0.16410E+04 -0.62564E+04 99285 0.110E+03 0.250E+03
RMM: 2 0.132398841335E+04 -0.46260E+03 -0.97043E+03 94849 0.659E+02 0.156E+03
RMM: 3 0.100555012318E+04 -0.31844E+03 -0.35386E+03 98336 0.304E+02 0.804E+02
RMM: 4 0.884852342958E+03 -0.12070E+03 -0.14454E+03 97899 0.195E+02 0.480E+02
RMM: 5 0.849478523795E+03 -0.35374E+02 -0.76585E+02 92983 0.113E+02 0.306E+02
RMM: 6 0.815537119307E+03 -0.33941E+02 -0.52877E+02 91047 0.753E+01 0.110E+02
RMM: 7 0.777577444054E+03 -0.37960E+02 -0.36511E+02 94709 0.470E+01 0.120E+02
RMM: 8 0.747760345737E+03 -0.29817E+02 -0.28772E+02 94460 0.341E+01 0.183E+02
RMM: 9 0.719548813717E+03 -0.28212E+02 -0.24089E+02 89529 0.276E+01 0.294E+02
RMM: 10 0.696196091771E+03 -0.23353E+02 -0.17025E+02 89946 0.217E+01 0.430E+02
RMM: 11 0.691936060423E+03 -0.42600E+01 -0.88317E+01 83559 0.158E+01 0.485E+02
RMM: 12 0.697524864189E+03 0.55888E+01 -0.37703E+01 83050 0.120E+01 0.478E+02
RMM: 13 0.705215918951E+03 0.76911E+01 -0.18698E+01 82113 0.947E+00 0.426E+02
RMM: 14 0.698530316323E+03 -0.66856E+01 -0.11050E+01 73155 0.759E+00 0.485E+02
RMM: 15 0.718085623181E+03 0.19555E+02 -0.20038E+01 96003 0.175E+01 0.310E+02
RMM: 16 0.662208723391E+03 -0.55877E+02 -0.75752E+01101529 0.372E+01 0.703E+02
RMM: 17 0.664910265099E+03 0.27015E+01 -0.21913E+01 82294 0.103E+01 0.774E+02
RMM: 18 0.680872765185E+03 0.15963E+02 -0.70869E+00 82060 0.769E+00 0.716E+02
RMM: 19 0.691624223142E+03 0.10751E+02 -0.37601E+00 83971 0.615E+00 0.665E+02
RMM: 20 0.693054434381E+03 0.14302E+01 -0.14033E+00 85789 0.257E+00 0.655E+02
RMM: 21 0.694702003195E+03 0.16476E+01 -0.92697E-01 78232 0.283E+00 0.642E+02
RMM: 22 0.721689651789E+03 0.26988E+02 -0.34722E+01104559 0.230E+01 0.297E+02
RMM: 23 0.723009994411E+03 0.13203E+01 -0.15369E+01101743 0.108E+01 0.119E+02
RMM: 24 0.716041802682E+03 -0.69682E+01 -0.11496E+01100595 0.107E+01 0.285E+02
RMM: 25 0.716584066941E+03 0.54226E+00 -0.19686E+00 83264 0.332E+00 0.275E+02
RMM: 26 0.721168452699E+03 0.45844E+01 -0.20979E+00 95664 0.605E+00 0.189E+02
RMM: 27 0.722918483495E+03 0.17500E+01 -0.84556E-01 86198 0.329E+00 0.139E+02
RMM: 28 0.722607213008E+03 -0.31127E+00 -0.78681E+00102494 0.108E+01 0.106E+02
RMM: 29 0.723681197452E+03 0.10740E+01 -0.11602E+00 90691 0.556E+00 0.713E+01
RMM: 30 0.723581760975E+03 -0.99436E-01 -0.10052E+00 87622 0.393E+00 0.103E+02
RMM: 31 0.723020842528E+03 -0.56092E+00 -0.21128E+00 96659 0.638E+00 0.995E+01
RMM: 32 0.722304828444E+03 -0.71601E+00 -0.39068E+00 99769 0.876E+00 0.189E+02
RMM: 33 0.721583718406E+03 -0.72111E+00 -0.70218E-01 86368 0.232E+00 0.222E+02
RMM: 34 0.721805295717E+03 0.22158E+00 -0.92453E-02 76407 0.130E+00 0.221E+02
RMM: 35 0.723253339351E+03 0.14480E+01 -0.22273E+00100938 0.623E+00 0.120E+02
RMM: 36 0.723222949437E+03 -0.30390E-01 -0.15580E-01 85432 0.113E+00 0.120E+02
RMM: 37 0.723164781406E+03 -0.58168E-01 -0.16530E-02 77685 0.622E-01 0.128E+02
RMM: 38 0.722592714845E+03 -0.57207E+00 -0.50769E-01100450 0.321E+00 0.180E+02
RMM: 39 0.722248385926E+03 -0.34433E+00 -0.14365E-01 90784 0.129E+00 0.211E+02
RMM: 40 0.718502799020E+03 -0.37456E+01 -0.45109E+00105098 0.844E+00 0.368E+02
RMM: 41 0.719066576285E+03 0.56378E+00 -0.29579E-01 91281 0.165E+00 0.360E+02
RMM: 42 0.720271531358E+03 0.12050E+01 -0.54930E-01103530 0.362E+00 0.358E+02
RMM: 43 0.719939994207E+03 -0.33154E+00 -0.10624E-01 92497 0.141E+00 0.387E+02
RMM: 44 0.719753581352E+03 -0.18641E+00 -0.29088E-02 81920 0.639E-01 0.401E+02
RMM: 45 0.719416853611E+03 -0.33673E+00 -0.73046E-02 88639 0.927E-01 0.418E+02
RMM: 46 0.720196071120E+03 0.77922E+00 -0.85381E-02 92450 0.142E+00 0.406E+02
RMM: 47 0.720333360745E+03 0.13729E+00 -0.64227E-01103354 0.335E+00 0.382E+02
RMM: 48 0.721036940441E+03 0.70358E+00 -0.17908E-01 94362 0.153E+00 0.353E+02
RMM: 49 0.722822836804E+03 0.17859E+01 -0.92666E-01102267 0.374E+00 0.240E+02
RMM: 50 0.723470687597E+03 0.64785E+00 -0.56201E-01 99051 0.228E+00 0.174E+02
RMM: 51 0.723562836153E+03 0.92149E-01 -0.10489E-01 89678 0.872E-01 0.155E+02
RMM: 52 0.723031998127E+03 -0.53084E+00 -0.17682E-01 98029 0.180E+00 0.191E+02
RMM: 53 0.723129032571E+03 0.97034E-01 -0.77646E-03 73665 0.484E-01 0.181E+02
RMM: 54 0.723331656137E+03 0.20262E+00 -0.26940E-02 85660 0.686E-01 0.160E+02
RMM: 55 0.723515078765E+03 0.18342E+00 -0.45554E-02 89699 0.776E-01 0.136E+02
RMM: 56 0.723603214787E+03 0.88136E-01 -0.32008E-02 86541 0.589E-01 0.118E+02
RMM: 57 0.723679022787E+03 0.75808E-01 -0.12821E-01 98372 0.148E+00 0.968E+01
RMM: 58 0.723687243864E+03 0.82211E-02 -0.14922E-02 81775 0.353E-01 0.945E+01
RMM: 59 0.723691327640E+03 0.40838E-02 -0.25326E-03 81035 0.133E-01 0.937E+01
RMM: 60 0.723682974131E+03 -0.83535E-02 -0.68874E-04 64372 0.824E-02
46 F= 0.72368297E+03 E0= 0.72368480E+03 d E =0.578112E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.100384371810E+04 0.28015E+03 -0.47503E+04 85620 0.117E+03 0.229E+03
RMM: 2 0.726769988740E+03 -0.27707E+03 -0.57701E+03 92371 0.523E+02 0.152E+03
RMM: 3 0.456589556811E+03 -0.27018E+03 -0.28715E+03 98135 0.243E+02 0.382E+02
RMM: 4 0.389198951744E+03 -0.67391E+02 -0.12368E+03 85363 0.175E+02 0.281E+02
RMM: 5 0.356953356813E+03 -0.32246E+02 -0.64101E+02 87127 0.894E+01 0.227E+02
RMM: 6 0.342722787651E+03 -0.14231E+02 -0.30356E+02 85844 0.538E+01 0.112E+02
RMM: 7 0.326006706453E+03 -0.16716E+02 -0.16571E+02 80204 0.317E+01 0.117E+02
RMM: 8 0.322187075660E+03 -0.38196E+01 -0.75648E+01 87033 0.177E+01 0.114E+02
RMM: 9 0.314953826473E+03 -0.72332E+01 -0.46002E+01 82803 0.108E+01 0.176E+02
RMM: 10 0.322043130630E+03 0.70893E+01 -0.25879E+01 81648 0.205E+01 0.918E+01
RMM: 11 0.320751746144E+03 -0.12914E+01 -0.94582E+00 81706 0.698E+00 0.975E+01
RMM: 12 0.321419741274E+03 0.66800E+00 -0.59631E+00 82024 0.744E+00 0.605E+01
RMM: 13 0.321080812478E+03 -0.33893E+00 -0.28823E+00 87274 0.293E+00 0.635E+01
RMM: 14 0.320943299269E+03 -0.13751E+00 -0.15705E+00 81184 0.237E+00 0.535E+01
RMM: 15 0.320838844005E+03 -0.10446E+00 -0.94061E-01 84697 0.129E+00 0.560E+01
RMM: 16 0.320667217543E+03 -0.17163E+00 -0.72588E-01 78917 0.211E+00 0.597E+01
RMM: 17 0.320723613841E+03 0.56396E-01 -0.37764E-01 69636 0.111E+00 0.559E+01
RMM: 18 0.320776149480E+03 0.52536E-01 -0.51233E-01 97047 0.253E+00 0.510E+01
RMM: 19 0.320668767165E+03 -0.10738E+00 -0.29466E-01 86029 0.140E+00 0.531E+01
RMM: 20 0.320702120096E+03 0.33353E-01 -0.10300E-01 79970 0.588E-01 0.505E+01
RMM: 21 0.320751928360E+03 0.49808E-01 -0.76491E-02 80460 0.883E-01 0.425E+01
RMM: 22 0.320770977370E+03 0.19049E-01 -0.43014E-02 82761 0.423E-01 0.390E+01
RMM: 23 0.320800994586E+03 0.30017E-01 -0.28918E-02 82457 0.385E-01 0.339E+01
RMM: 24 0.320779169549E+03 -0.21825E-01 -0.15548E-02 63435 0.334E-01 0.364E+01
RMM: 25 0.320826674771E+03 0.47505E-01 -0.25406E-02 91696 0.723E-01 0.273E+01
RMM: 26 0.320844807153E+03 0.18132E-01 -0.17052E-02 85838 0.366E-01 0.219E+01
RMM: 27 0.320861334375E+03 0.16527E-01 -0.15106E-02 87648 0.430E-01 0.151E+01
RMM: 28 0.320864433905E+03 0.30995E-02 -0.65836E-03 83558 0.197E-01 0.121E+01
RMM: 29 0.320871189890E+03 0.67560E-02 -0.93618E-03 90199 0.366E-01 0.637E+00
RMM: 30 0.320871912787E+03 0.72290E-03 -0.56688E-03 85427 0.237E-01 0.264E+00
RMM: 31 0.320871898346E+03 -0.14441E-04 -0.20248E-03 80524 0.115E-01 0.134E+00
RMM: 32 0.320871870826E+03 -0.27521E-04 -0.49606E-04 56572 0.607E-02 0.126E+00
RMM: 33 0.320871878034E+03 0.72080E-05 -0.25006E-04 45113 0.380E-02 0.104E+00
RMM: 34 0.320871914660E+03 0.36626E-04 -0.16599E-04 54000 0.435E-02 0.646E-01
RMM: 35 0.320871917403E+03 0.27425E-05 -0.98920E-05 44395 0.405E-02
47 F= 0.32087192E+03 E0= 0.32087620E+03 d E =-.402811E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.271336501946E+04 0.23925E+04 -0.72173E+04 99408 0.119E+03 0.317E+03
RMM: 2 0.182278462853E+04 -0.89058E+03 -0.11951E+04 90759 0.742E+02 0.162E+03
RMM: 3 0.148182828125E+04 -0.34096E+03 -0.36300E+03 90162 0.293E+02 0.108E+03
RMM: 4 0.137854101080E+04 -0.10329E+03 -0.12429E+03 87739 0.171E+02 0.353E+02
RMM: 5 0.132752409076E+04 -0.51017E+02 -0.63635E+02 90929 0.765E+01 0.385E+02
RMM: 6 0.131251814406E+04 -0.15006E+02 -0.27421E+02 88845 0.500E+01 0.224E+02
RMM: 7 0.130444875150E+04 -0.80694E+01 -0.12675E+02 91860 0.300E+01 0.166E+02
RMM: 8 0.130212270723E+04 -0.23260E+01 -0.53247E+01 88494 0.258E+01 0.675E+01
RMM: 9 0.129877004102E+04 -0.33527E+01 -0.32392E+01 91316 0.167E+01 0.643E+01
RMM: 10 0.129498736002E+04 -0.37827E+01 -0.31216E+01 79356 0.197E+01 0.967E+01
RMM: 11 0.129575697855E+04 0.76962E+00 -0.12003E+01 75885 0.141E+01 0.336E+01
RMM: 12 0.129498645009E+04 -0.77053E+00 -0.10034E+01 81367 0.738E+00 0.213E+01
RMM: 13 0.129446602745E+04 -0.52042E+00 -0.48582E+00 91960 0.550E+00 0.261E+01
RMM: 14 0.129394091917E+04 -0.52511E+00 -0.43775E+00 85611 0.422E+00 0.457E+01
RMM: 15 0.129377553408E+04 -0.16539E+00 -0.26495E+00 80689 0.393E+00 0.224E+01
RMM: 16 0.129360535474E+04 -0.17018E+00 -0.20797E+00 83793 0.297E+00 0.181E+01
RMM: 17 0.129347195042E+04 -0.13340E+00 -0.13796E+00 91678 0.236E+00 0.146E+01
RMM: 18 0.129336211892E+04 -0.10983E+00 -0.10565E+00 94282 0.162E+00 0.146E+01
RMM: 19 0.129328259345E+04 -0.79525E-01 -0.77914E-01 86163 0.137E+00 0.145E+01
RMM: 20 0.129321935458E+04 -0.63239E-01 -0.59060E-01 82001 0.107E+00 0.165E+01
RMM: 21 0.129318421869E+04 -0.35136E-01 -0.45207E-01 90151 0.153E+00 0.137E+01
RMM: 22 0.129314553831E+04 -0.38680E-01 -0.33918E-01 86601 0.112E+00 0.206E+01
RMM: 23 0.129312326275E+04 -0.22276E-01 -0.22274E-01 88985 0.791E-01 0.194E+01
RMM: 24 0.129310638508E+04 -0.16878E-01 -0.17174E-01 78712 0.543E-01 0.189E+01
RMM: 25 0.129308602488E+04 -0.20360E-01 -0.12235E-01 83151 0.629E-01 0.220E+01
RMM: 26 0.129307780299E+04 -0.82219E-02 -0.91553E-02 86903 0.437E-01 0.214E+01
RMM: 27 0.129307440941E+04 -0.33936E-02 -0.63980E-02 81538 0.366E-01 0.187E+01
RMM: 28 0.129307515409E+04 0.74468E-03 -0.49617E-02 86143 0.363E-01 0.162E+01
RMM: 29 0.129307409592E+04 -0.10582E-02 -0.36305E-02 82818 0.281E-01 0.139E+01
RMM: 30 0.129307387646E+04 -0.21946E-03 -0.26803E-02 84281 0.251E-01 0.116E+01
RMM: 31 0.129307435447E+04 0.47801E-03 -0.20787E-02 86798 0.246E-01 0.856E+00
RMM: 32 0.129307485679E+04 0.50232E-03 -0.16403E-02 90915 0.275E-01 0.486E+00
RMM: 33 0.129307405559E+04 -0.80119E-03 -0.11462E-02 82910 0.188E-01 0.339E+00
RMM: 34 0.129307335124E+04 -0.70435E-03 -0.77312E-03 71595 0.145E-01 0.284E+00
RMM: 35 0.129307275750E+04 -0.59374E-03 -0.57474E-03 60929 0.106E-01 0.278E+00
RMM: 36 0.129307240458E+04 -0.35292E-03 -0.40550E-03 57874 0.892E-02 0.261E+00
RMM: 37 0.129307214740E+04 -0.25717E-03 -0.30205E-03 54383 0.763E-02 0.207E+00
RMM: 38 0.129307196813E+04 -0.17927E-03 -0.21428E-03 66220 0.815E-02 0.122E+00
RMM: 39 0.129307182840E+04 -0.13973E-03 -0.15745E-03 46410 0.616E-02 0.104E+00
RMM: 40 0.129307173168E+04 -0.96727E-04 -0.10787E-03 44026 0.491E-02 0.880E-01
RMM: 41 0.129307165458E+04 -0.77093E-04 -0.80668E-04 42386 0.428E-02 0.770E-01
RMM: 42 0.129307160583E+04 -0.48755E-04 -0.56664E-04 41731 0.372E-02 0.555E-01
RMM: 43 0.129307156737E+04 -0.38454E-04 -0.42486E-04 41987 0.381E-02 0.232E-01
RMM: 44 0.129307153790E+04 -0.29478E-04 -0.29136E-04 40378 0.354E-02 0.256E-01
RMM: 45 0.129307151738E+04 -0.20516E-04 -0.21334E-04 39706 0.219E-02 0.220E-01
RMM: 46 0.129307150376E+04 -0.13622E-04 -0.15019E-04 39191 0.202E-02 0.185E-01
RMM: 47 0.129307149352E+04 -0.10238E-04 -0.11315E-04 39194 0.192E-02 0.672E-02
RMM: 48 0.129307148594E+04 -0.75866E-05 -0.80132E-05 38650 0.197E-02
48 F= 0.12930715E+04 E0= 0.12930753E+04 d E =0.972200E+03
N E dE d eps ncg rms rms(c)
DAV: 1 0.275128071875E+04 0.14582E+04 -0.63034E+03 68826 0.829E+02 0.314E+03
RMM: 2 0.274359915174E+04 -0.76816E+01 -0.47888E+02 70734 0.194E+02 0.186E+03
RMM: 3 0.269689234668E+04 -0.46707E+02 -0.26582E+02 77931 0.958E+01 0.361E+02
RMM: 4 0.272368968252E+04 0.26797E+02 -0.96942E+01 74613 0.753E+01 0.255E+02
RMM: 5 0.273011498725E+04 0.64253E+01 -0.21379E+01 88639 0.286E+01 0.168E+02
RMM: 6 0.273088813532E+04 0.77315E+00 -0.82432E+00 90695 0.130E+01 0.111E+02
RMM: 7 0.273078557818E+04 -0.10256E+00 -0.30854E+00 75257 0.117E+01 0.940E+01
RMM: 8 0.273151941376E+04 0.73384E+00 -0.17034E+00 85317 0.550E+00 0.651E+01
RMM: 9 0.273162451055E+04 0.10510E+00 -0.83156E-01 84358 0.350E+00 0.231E+01