N E dE d eps ncg rms rms(c)
DAV: 1 0.231421106587E+04 0.23142E+04 -0.22537E+05 5824 0.110E+03
DAV: 2 -0.685725929047E+03 -0.29999E+04 -0.28604E+04 7056 0.261E+02
DAV: 3 -0.961036533203E+03 -0.27531E+03 -0.26921E+03 7104 0.802E+01
DAV: 4 -0.969044198715E+03 -0.80077E+01 -0.79364E+01 7384 0.134E+01
DAV: 5 -0.969235498595E+03 -0.19130E+00 -0.19079E+00 7112 0.202E+00 0.622E+01
DAV: 6 -0.857191239607E+03 0.11204E+03 -0.40821E+02 6768 0.295E+01 0.312E+01
DAV: 7 -0.853540933905E+03 0.36503E+01 -0.48171E+01 7280 0.134E+01 0.152E+01
DAV: 8 -0.852533193986E+03 0.10077E+01 -0.10910E+01 7488 0.666E+00 0.944E+00
DAV: 9 -0.851860879666E+03 0.67231E+00 -0.25626E+00 7208 0.325E+00 0.470E+00
DAV: 10 -0.851829096930E+03 0.31783E-01 -0.90215E-01 6920 0.188E+00 0.183E+00
DAV: 11 -0.851814414583E+03 0.14682E-01 -0.25810E-01 7248 0.101E+00 0.938E-01
DAV: 12 -0.851816985759E+03 -0.25712E-02 -0.56050E-02 6960 0.470E-01 0.514E-01
DAV: 13 -0.851820749154E+03 -0.37634E-02 -0.15702E-02 6880 0.245E-01 0.279E-01
DAV: 14 -0.851822519729E+03 -0.17706E-02 -0.44964E-03 6672 0.128E-01 0.140E-01
DAV: 15 -0.851823155092E+03 -0.63536E-03 -0.15014E-03 6928 0.743E-02 0.688E-02
DAV: 16 -0.851823309597E+03 -0.15450E-03 -0.42104E-04 6656 0.378E-02 0.353E-02
DAV: 17 -0.851823357187E+03 -0.47591E-04 -0.97302E-05 6952 0.195E-02 0.196E-02
DAV: 18 -0.851823378765E+03 -0.21578E-04 -0.35875E-05 5520 0.110E-02 0.103E-02
DAV: 19 -0.851823384512E+03 -0.57473E-05 -0.82043E-06 4088 0.566E-03
1 T= 407. E= -.84251706E+03 F= -.85182338E+03 E0= -.85181507E+03 EK= 0.93063E+01 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.865346900266E+03 -0.13524E+02 -0.39851E+02 5832 0.344E+01 0.853E+00
DAV: 2 -0.865367390383E+03 -0.20490E-01 -0.15545E+01 7136 0.663E+00 0.546E+00
DAV: 3 -0.864967466675E+03 0.39992E+00 -0.16328E+00 7696 0.258E+00 0.328E+00
DAV: 4 -0.864917838826E+03 0.49628E-01 -0.13905E+00 6960 0.179E+00 0.168E+00
DAV: 5 -0.864890096746E+03 0.27742E-01 -0.15242E-01 7096 0.802E-01 0.107E+00
DAV: 6 -0.864885699561E+03 0.43972E-02 -0.84783E-02 6928 0.427E-01 0.567E-01
DAV: 7 -0.864886587713E+03 -0.88815E-03 -0.17889E-02 7008 0.231E-01 0.187E-01
DAV: 8 -0.864886133480E+03 0.45423E-03 -0.30050E-03 7016 0.109E-01 0.832E-02
DAV: 9 -0.864886100074E+03 0.33406E-04 -0.89714E-04 6880 0.517E-02 0.510E-02
DAV: 10 -0.864886111585E+03 -0.11510E-04 -0.23159E-04 6928 0.266E-02 0.289E-02
DAV: 11 -0.864886120088E+03 -0.85030E-05 -0.51346E-05 6320 0.141E-02
2 T= 929. E= -.84363259E+03 F= -.86488612E+03 E0= -.86487374E+03 EK= 0.21254E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.870735358470E+03 -0.58492E+01 -0.21051E+02 5824 0.296E+01 0.673E+00
DAV: 2 -0.871210629761E+03 -0.47527E+00 -0.13403E+01 7096 0.632E+00 0.317E+00
DAV: 3 -0.871200664921E+03 0.99648E-02 -0.80975E-01 6952 0.154E+00 0.200E+00
DAV: 4 -0.871206424094E+03 -0.57592E-02 -0.20705E-01 7048 0.780E-01 0.124E+00
DAV: 5 -0.871204015256E+03 0.24088E-02 -0.76007E-02 7040 0.455E-01 0.585E-01
DAV: 6 -0.871204945647E+03 -0.93039E-03 -0.22105E-02 7072 0.252E-01 0.278E-01
DAV: 7 -0.871204665661E+03 0.27999E-03 -0.57231E-03 7696 0.155E-01 0.151E-01
DAV: 8 -0.871204502694E+03 0.16297E-03 -0.16392E-03 7832 0.833E-02 0.765E-02
DAV: 9 -0.871204491747E+03 0.10947E-04 -0.43083E-04 7120 0.429E-02 0.417E-02
DAV: 10 -0.871204494614E+03 -0.28665E-05 -0.13991E-04 6880 0.228E-02 0.201E-02
DAV: 11 -0.871204496779E+03 -0.21654E-05 -0.29552E-05 4784 0.101E-02
3 T= 1245. E= -.84271121E+03 F= -.87120450E+03 E0= -.87119034E+03 EK= 0.28493E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.877635339751E+03 -0.64308E+01 -0.26619E+02 5824 0.380E+01 0.512E+00
DAV: 2 -0.878965881067E+03 -0.13305E+01 -0.14904E+01 7128 0.672E+00 0.354E+00
DAV: 3 -0.878944119467E+03 0.21762E-01 -0.80403E-01 7072 0.170E+00 0.232E+00
DAV: 4 -0.878994196491E+03 -0.50077E-01 -0.33624E-01 6992 0.968E-01 0.155E+00
DAV: 5 -0.879015422467E+03 -0.21226E-01 -0.17783E-01 7008 0.567E-01 0.973E-01
DAV: 6 -0.879010347140E+03 0.50753E-02 -0.66243E-02 7056 0.376E-01 0.375E-01
DAV: 7 -0.879012908819E+03 -0.25617E-02 -0.13032E-02 7136 0.215E-01 0.192E-01
DAV: 8 -0.879013039568E+03 -0.13075E-03 -0.29302E-03 7368 0.102E-01 0.109E-01
DAV: 9 -0.879013119499E+03 -0.79931E-04 -0.85049E-04 6880 0.554E-02 0.605E-02
DAV: 10 -0.879013144722E+03 -0.25223E-04 -0.21567E-04 6848 0.288E-02 0.296E-02
DAV: 11 -0.879013151134E+03 -0.64124E-05 -0.64201E-05 6472 0.163E-02
4 T= 1580. E= -.84286075E+03 F= -.87901315E+03 E0= -.87900140E+03 EK= 0.36152E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.887469214635E+03 -0.84561E+01 -0.61652E+02 5824 0.555E+01 0.101E+01
DAV: 2 -0.888058346284E+03 -0.58913E+00 -0.22956E+01 7152 0.822E+00 0.628E+00
DAV: 3 -0.888066837280E+03 -0.84910E-02 -0.24750E+00 6976 0.266E+00 0.386E+00
DAV: 4 -0.888004564169E+03 0.62273E-01 -0.63610E-01 6912 0.142E+00 0.193E+00
DAV: 5 -0.888047474143E+03 -0.42910E-01 -0.30244E-01 7128 0.956E-01 0.155E+00
DAV: 6 -0.888030934513E+03 0.16540E-01 -0.15890E-01 7024 0.529E-01 0.689E-01
DAV: 7 -0.888030161059E+03 0.77345E-03 -0.29116E-02 7160 0.286E-01 0.298E-01
DAV: 8 -0.888031402432E+03 -0.12414E-02 -0.82475E-03 6816 0.163E-01 0.175E-01
DAV: 9 -0.888031487189E+03 -0.84756E-04 -0.19446E-03 6952 0.832E-02 0.858E-02
DAV: 10 -0.888031599587E+03 -0.11240E-03 -0.64763E-04 6744 0.477E-02 0.356E-02
DAV: 11 -0.888031609463E+03 -0.98753E-05 -0.98525E-05 6736 0.192E-02
5 T= 2019. E= -.84183118E+03 F= -.88803161E+03 E0= -.88802540E+03 EK= 0.46200E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.902027796856E+03 -0.13996E+02 -0.84322E+02 5880 0.588E+01 0.253E+01
DAV: 2 -0.909643044520E+03 -0.76152E+01 -0.93517E+01 8928 0.176E+01 0.185E+01
DAV: 3 -0.901156199592E+03 0.84868E+01 -0.32128E+01 8328 0.934E+00 0.127E+01
DAV: 4 -0.899005443019E+03 0.21508E+01 -0.16737E+01 7000 0.788E+00 0.568E+00
DAV: 5 -0.900413065904E+03 -0.14076E+01 -0.11262E+01 6816 0.560E+00 0.125E+01
DAV: 6 -0.899066730806E+03 0.13463E+01 -0.43301E+00 7648 0.260E+00 0.301E+00
DAV: 7 -0.899078738040E+03 -0.12007E-01 -0.83326E-01 6288 0.130E+00 0.188E+00
DAV: 8 -0.899137759900E+03 -0.59022E-01 -0.31334E-01 6904 0.861E-01 0.232E+00
DAV: 9 -0.899043414678E+03 0.94345E-01 -0.72569E-02 8520 0.629E-01 0.143E+00
DAV: 10 -0.899015249493E+03 0.28165E-01 -0.44108E-02 7208 0.379E-01 0.881E-01
DAV: 11 -0.899005568355E+03 0.96811E-02 -0.12688E-02 7416 0.221E-01 0.621E-01
DAV: 12 -0.898998427059E+03 0.71413E-02 -0.55282E-03 8264 0.177E-01 0.352E-01
DAV: 13 -0.898996296083E+03 0.21310E-02 -0.40832E-03 7392 0.124E-01 0.144E-01
DAV: 14 -0.898996063468E+03 0.23261E-03 -0.22438E-03 7848 0.861E-02 0.839E-02
DAV: 15 -0.898996083004E+03 -0.19535E-04 -0.49814E-04 6568 0.331E-02 0.654E-02
DAV: 16 -0.898996057347E+03 0.25657E-04 -0.12351E-04 6544 0.170E-02 0.230E-02
DAV: 17 -0.898996048811E+03 0.85353E-05 -0.46722E-05 6032 0.115E-02
6 T= 2698. E= -.83726926E+03 F= -.89899605E+03 E0= -.89899223E+03 EK= 0.61727E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.900058093901E+03 -0.10620E+01 -0.70001E+02 5824 0.541E+01 0.112E+01
DAV: 2 -0.904867501754E+03 -0.48094E+01 -0.37478E+01 7016 0.102E+01 0.890E+00
DAV: 3 -0.901595591351E+03 0.32719E+01 -0.57258E+00 7072 0.501E+00 0.538E+00
DAV: 4 -0.901621777656E+03 -0.26186E-01 -0.16846E+00 6832 0.222E+00 0.311E+00
DAV: 5 -0.901863492990E+03 -0.24172E+00 -0.13100E+00 7328 0.147E+00 0.394E+00
DAV: 6 -0.901717659231E+03 0.14583E+00 -0.67104E-01 7784 0.101E+00 0.105E+00
DAV: 7 -0.901740902322E+03 -0.23243E-01 -0.69251E-02 6712 0.503E-01 0.383E-01
DAV: 8 -0.901742556495E+03 -0.16542E-02 -0.13193E-02 6856 0.206E-01 0.232E-01
DAV: 9 -0.901742595169E+03 -0.38675E-04 -0.29318E-03 6728 0.102E-01 0.131E-01
DAV: 10 -0.901742796457E+03 -0.20129E-03 -0.10220E-03 6696 0.574E-02 0.561E-02
DAV: 11 -0.901742825301E+03 -0.28844E-04 -0.18092E-04 7496 0.275E-02 0.268E-02
DAV: 12 -0.901742833014E+03 -0.77128E-05 -0.64413E-05 6664 0.139E-02
7 T= 2836. E= -.83684842E+03 F= -.90174283E+03 E0= -.90173079E+03 EK= 0.64894E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.911294532790E+03 -0.95517E+01 -0.10618E+03 5824 0.664E+01 0.154E+01
DAV: 2 -0.912202915537E+03 -0.90838E+00 -0.48480E+01 7112 0.123E+01 0.103E+01
DAV: 3 -0.911950317909E+03 0.25260E+00 -0.88354E+00 7400 0.465E+00 0.686E+00
DAV: 4 -0.911651665591E+03 0.29865E+00 -0.16015E+00 7064 0.247E+00 0.415E+00
DAV: 5 -0.911818113598E+03 -0.16645E+00 -0.11957E+00 7096 0.174E+00 0.414E+00
DAV: 6 -0.911678730691E+03 0.13938E+00 -0.88541E-01 7016 0.113E+00 0.216E+00
DAV: 7 -0.911646686214E+03 0.32044E-01 -0.24615E-01 7040 0.730E-01 0.108E+00
DAV: 8 -0.911642606217E+03 0.40800E-02 -0.87841E-02 6928 0.417E-01 0.679E-01
DAV: 9 -0.911639433463E+03 0.31728E-02 -0.24887E-02 6856 0.253E-01 0.259E-01
DAV: 10 -0.911639483392E+03 -0.49929E-04 -0.53370E-03 6864 0.141E-01 0.149E-01
DAV: 11 -0.911639703157E+03 -0.21976E-03 -0.19792E-03 7120 0.775E-02 0.154E-01
DAV: 12 -0.911639459351E+03 0.24381E-03 -0.65402E-04 6968 0.412E-02 0.505E-02
DAV: 13 -0.911639480716E+03 -0.21365E-04 -0.19645E-04 6992 0.246E-02 0.332E-02
DAV: 14 -0.911639478517E+03 0.21991E-05 -0.42501E-05 5528 0.140E-02
8 T= 3271. E= -.83680765E+03 F= -.91163948E+03 E0= -.91161201E+03 EK= 0.74832E+02 SP= 0.00E+00 SK= 0.00E+00
N E dE d eps ncg rms rms(c)