N E dE d eps ncg rms rms(c)
DAV: 1 0.214994259261E+04 0.21499E+04 -0.16802E+05 3840 0.121E+03
DAV: 2 -0.374574990878E+03 -0.25245E+04 -0.24401E+04 4644 0.302E+02
DAV: 3 -0.599806975558E+03 -0.22523E+03 -0.22244E+03 4504 0.945E+01
DAV: 4 -0.606285070508E+03 -0.64781E+01 -0.64382E+01 4864 0.158E+01
DAV: 5 -0.606434002656E+03 -0.14893E+00 -0.14845E+00 4544 0.236E+00 0.533E+01
DAV: 6 -0.539207435270E+03 0.67227E+02 -0.32073E+02 4288 0.321E+01 0.264E+01
DAV: 7 -0.537814544123E+03 0.13929E+01 -0.20970E+01 5144 0.120E+01 0.127E+01
DAV: 8 -0.537386191039E+03 0.42835E+00 -0.62437E+00 5608 0.685E+00 0.796E+00
DAV: 9 -0.536990021766E+03 0.39617E+00 -0.11670E+00 5720 0.383E+00 0.377E+00
DAV: 10 -0.536959371495E+03 0.30650E-01 -0.48194E-01 4728 0.191E+00 0.106E+00
DAV: 11 -0.536967843594E+03 -0.84721E-02 -0.76869E-02 4400 0.685E-01 0.737E-01
DAV: 12 -0.536972833635E+03 -0.49900E-02 -0.26278E-02 4392 0.399E-01 0.293E-01
DAV: 13 -0.536973157217E+03 -0.32358E-03 -0.33292E-03 5112 0.205E-01 0.104E-01
DAV: 14 -0.536973680104E+03 -0.52289E-03 -0.17229E-03 4048 0.102E-01 0.532E-02
DAV: 15 -0.536973877694E+03 -0.19759E-03 -0.23021E-04 4440 0.508E-02 0.338E-02
DAV: 16 -0.536973910531E+03 -0.32837E-04 -0.24337E-04 4000 0.462E-02 0.239E-02
DAV: 17 -0.536973881129E+03 0.29402E-04 -0.58983E-05 3880 0.229E-02 0.132E-02
DAV: 18 -0.536973865415E+03 0.15714E-04 -0.18979E-05 2840 0.119E-02 0.709E-03
DAV: 19 -0.536973860493E+03 0.49219E-05 -0.87091E-06 2496 0.715E-03
1 F= -.53697386E+03 E0= -.53697433E+03 d E =-.536974E+03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.404790124642E+03 0.13218E+03 -0.20417E+04 3776 0.340E+02 0.801E+01
DAV: 2 -0.602084177167E+03 -0.19729E+03 -0.20854E+03 4380 0.977E+01 0.400E+01
DAV: 3 -0.582733851590E+03 0.19350E+02 -0.75417E+01 4424 0.217E+01 0.231E+01
DAV: 4 -0.576999132861E+03 0.57347E+01 -0.54028E+01 4368 0.199E+01 0.964E+00
DAV: 5 -0.576821807280E+03 0.17733E+00 -0.46733E+00 4416 0.597E+00 0.909E+00
DAV: 6 -0.576554491032E+03 0.26732E+00 -0.18587E+00 4304 0.344E+00 0.452E+00
DAV: 7 -0.576583796606E+03 -0.29306E-01 -0.40503E-01 4456 0.172E+00 0.253E+00
DAV: 8 -0.576482821734E+03 0.10097E+00 -0.34462E-01 4344 0.192E+00 0.707E-01
DAV: 9 -0.576488555155E+03 -0.57334E-02 -0.10548E-01 4240 0.719E-01 0.292E-01
DAV: 10 -0.576488337581E+03 0.21757E-03 -0.78792E-03 4584 0.214E-01 0.224E-01
DAV: 11 -0.576487112164E+03 0.12254E-02 -0.20466E-03 4576 0.198E-01 0.905E-02
DAV: 12 -0.576486909948E+03 0.20222E-03 -0.17624E-03 4424 0.127E-01 0.427E-02
DAV: 13 -0.576486872227E+03 0.37721E-04 -0.32785E-04 4216 0.500E-02 0.314E-02
DAV: 14 -0.576486822977E+03 0.49250E-04 -0.76845E-05 4216 0.251E-02 0.200E-02
DAV: 15 -0.576486804284E+03 0.18692E-04 -0.27227E-05 3144 0.253E-02 0.120E-02
DAV: 16 -0.576486804806E+03 -0.52162E-06 -0.37416E-05 3736 0.182E-02
2 F= -.57648680E+03 E0= -.57649070E+03 d E =-.395129E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.576266414560E+03 0.22039E+00 -0.89819E+02 3776 0.728E+01 0.787E+00
DAV: 2 -0.578577800719E+03 -0.23114E+01 -0.28877E+01 4384 0.114E+01 0.391E+00
DAV: 3 -0.578348158999E+03 0.22964E+00 -0.54921E-01 4480 0.213E+00 0.229E+00
DAV: 4 -0.578269109222E+03 0.79050E-01 -0.59570E-01 4344 0.217E+00 0.841E-01
DAV: 5 -0.578269513994E+03 -0.40477E-03 -0.11586E-01 4440 0.868E-01 0.715E-01
DAV: 6 -0.578268067066E+03 0.14469E-02 -0.22418E-02 4360 0.381E-01 0.369E-01
DAV: 7 -0.578266542248E+03 0.15248E-02 -0.62382E-03 4456 0.193E-01 0.158E-01
DAV: 8 -0.578266220070E+03 0.32218E-03 -0.18606E-03 4752 0.130E-01 0.507E-02
DAV: 9 -0.578266151006E+03 0.69064E-04 -0.66097E-04 4504 0.710E-02 0.330E-02
DAV: 10 -0.578266120693E+03 0.30313E-04 -0.11437E-04 4408 0.301E-02 0.214E-02
DAV: 11 -0.578266095080E+03 0.25614E-04 -0.69845E-05 4056 0.316E-02 0.855E-03
DAV: 12 -0.578266093234E+03 0.18460E-05 -0.31134E-05 3232 0.184E-02
3 F= -.57826609E+03 E0= -.57827357E+03 d E =-.412922E+02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.541911813549E+03 0.36354E+02 -0.90508E+03 3776 0.232E+02 0.457E+01
DAV: 2 -0.584655107101E+03 -0.42743E+02 -0.47911E+02 4440 0.479E+01 0.184E+01
DAV: 3 -0.579125942995E+03 0.55292E+01 -0.14812E+01 4416 0.106E+01 0.100E+01
DAV: 4 -0.577288031115E+03 0.18379E+01 -0.64743E+00 4352 0.744E+00 0.415E+00
DAV: 5 -0.577206737095E+03 0.81294E-01 -0.12701E+00 4536 0.322E+00 0.285E+00
DAV: 6 -0.577135268607E+03 0.71468E-01 -0.29539E-01 4344 0.146E+00 0.109E+00
DAV: 7 -0.577119889673E+03 0.15379E-01 -0.50464E-02 4672 0.763E-01 0.688E-01
DAV: 8 -0.577116282797E+03 0.36069E-02 -0.47380E-02 4528 0.554E-01 0.529E-01
DAV: 9 -0.577113150646E+03 0.31322E-02 -0.24087E-02 4760 0.290E-01 0.327E-01
DAV: 10 -0.577111624426E+03 0.15262E-02 -0.56215E-03 4184 0.242E-01 0.148E-01
DAV: 11 -0.577110896323E+03 0.72810E-03 -0.28247E-03 4536 0.201E-01 0.105E-01
DAV: 12 -0.577110715136E+03 0.18119E-03 -0.18095E-03 4240 0.143E-01 0.680E-02
DAV: 13 -0.577110577384E+03 0.13775E-03 -0.42254E-04 4280 0.747E-02 0.392E-02
DAV: 14 -0.577110531871E+03 0.45513E-04 -0.11853E-04 4264 0.329E-02 0.245E-02
DAV: 15 -0.577110508567E+03 0.23304E-04 -0.19221E-05 2664 0.159E-02 0.101E-02
DAV: 16 -0.577110498630E+03 0.99364E-05 -0.95300E-06 2640 0.170E-02
4 F= -.57711050E+03 E0= -.57711956E+03 d E =0.115559E+01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.580539156411E+03 -0.34286E+01 -0.24470E+03 3776 0.120E+02 0.184E+01
DAV: 2 -0.588411046047E+03 -0.78719E+01 -0.10712E+02 4368 0.221E+01 0.863E+00
DAV: 3 -0.587238418799E+03 0.11726E+01 -0.32748E+00 4480 0.489E+00 0.506E+00
DAV: 4 -0.586771138175E+03 0.46728E+00 -0.28886E+00 4352 0.450E+00 0.196E+00
DAV: 5 -0.586751841884E+03 0.19296E-01 -0.57074E-01 4472 0.207E+00 0.176E+00
DAV: 6 -0.586741859001E+03 0.99829E-02 -0.12836E-01 4376 0.951E-01 0.103E+00
DAV: 7 -0.586735014774E+03 0.68442E-02 -0.33368E-02 4384 0.456E-01 0.496E-01
DAV: 8 -0.586734200322E+03 0.81445E-03 -0.10701E-02 4520 0.268E-01 0.212E-01