N E dE d eps ncg rms rms(c)
DAV: 1 0.647597020288E+04 0.64760E+04 -0.51795E+05 1704 0.107E+03
DAV: 2 -0.190055568101E+04 -0.83765E+04 -0.81124E+04 2070 0.271E+02
DAV: 3 -0.269483418672E+04 -0.79428E+03 -0.78977E+03 2058 0.890E+01
DAV: 4 -0.271225830856E+04 -0.17424E+02 -0.17374E+02 2067 0.141E+01
DAV: 5 -0.271275007851E+04 -0.49177E+00 -0.49128E+00 2112 0.218E+00 0.114E+02
DAV: 6 -0.244590025704E+04 0.26685E+03 -0.93314E+02 1887 0.299E+01 0.552E+01
DAV: 7 -0.243304354622E+04 0.12857E+02 -0.54269E+01 2166 0.749E+00 0.247E+01
DAV: 8 -0.242943874122E+04 0.36048E+01 -0.90420E+00 2058 0.389E+00 0.971E+00
DAV: 9 -0.242894916015E+04 0.48958E+00 -0.19105E+00 2058 0.176E+00 0.185E+00
DAV: 10 -0.242903417405E+04 -0.85014E-01 -0.27178E-01 2040 0.724E-01 0.121E+00
DAV: 11 -0.242905724980E+04 -0.23076E-01 -0.66809E-02 2049 0.412E-01 0.606E-01
DAV: 12 -0.242906610289E+04 -0.88531E-02 -0.20622E-02 2004 0.289E-01 0.245E-01
DAV: 13 -0.242906566637E+04 0.43651E-03 -0.14575E-02 2229 0.220E-01 0.184E-01
DAV: 14 -0.242906527391E+04 0.39246E-03 -0.86785E-03 2058 0.107E-01 0.140E-01
DAV: 15 -0.242906477096E+04 0.50295E-03 -0.71765E-04 2022 0.385E-02 0.930E-02
DAV: 16 -0.242906382685E+04 0.94411E-03 -0.10757E-03 2085 0.899E-02 0.472E-02
DAV: 17 -0.242906372198E+04 0.10487E-03 -0.78924E-04 2094 0.443E-02 0.312E-02
DAV: 18 -0.242906370916E+04 0.12821E-04 -0.30889E-04 2067 0.265E-02 0.206E-02
DAV: 19 -0.242906369030E+04 0.18857E-04 -0.57339E-05 2013 0.155E-02 0.118E-02
DAV: 20 -0.242906369087E+04 -0.56368E-06 -0.26244E-05 1581 0.115E-02
1 F= -.24290637E+04 E0= -.24290721E+04 d E =-.242906E+04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242889992460E+04 0.16377E+00 -0.31076E+01 1704 0.684E+00 0.224E+00
DAV: 2 -0.242897084856E+04 -0.70924E-01 -0.11809E+00 2085 0.125E+00 0.112E+00
DAV: 3 -0.242894601216E+04 0.24836E-01 -0.81212E-02 2103 0.392E-01 0.668E-01
DAV: 4 -0.242893569455E+04 0.10318E-01 -0.54367E-02 2085 0.319E-01 0.377E-01
DAV: 5 -0.242892802527E+04 0.76693E-02 -0.22167E-02 2103 0.232E-01 0.316E-01
DAV: 6 -0.242892649952E+04 0.15257E-02 -0.81156E-03 1968 0.106E-01 0.360E-01
DAV: 7 -0.242892781191E+04 -0.13124E-02 -0.50798E-04 2022 0.296E-02 0.351E-01
DAV: 8 -0.242893345368E+04 -0.56418E-02 -0.50248E-03 2652 0.164E-01 0.380E-01
DAV: 9 -0.242893744079E+04 -0.39871E-02 -0.59674E-03 2310 0.159E-01 0.431E-01
DAV: 10 -0.242894097362E+04 -0.35328E-02 -0.32489E-03 2175 0.134E-01 0.462E-01
DAV: 11 -0.242894135320E+04 -0.37958E-03 -0.25905E-03 1923 0.507E-02 0.443E-01
DAV: 12 -0.242894152217E+04 -0.16897E-03 -0.37180E-05 1950 0.806E-03 0.446E-01
DAV: 13 -0.242894103441E+04 0.48776E-03 -0.13425E-05 1572 0.135E-02 0.440E-01
DAV: 14 -0.242892624169E+04 0.14793E-01 -0.96470E-03 2958 0.407E-01 0.501E-01
DAV: 15 -0.242892562591E+04 0.61578E-03 -0.16763E-02 1941 0.112E-01 0.519E-01
DAV: 16 -0.242892409976E+04 0.15262E-02 -0.85886E-04 2517 0.512E-02 0.599E-01
DAV: 17 -0.242892792841E+04 -0.38286E-02 -0.10131E-03 2526 0.818E-02 0.516E-01
DAV: 18 -0.242892688890E+04 0.10395E-02 -0.66777E-04 1995 0.318E-02 0.515E-01
DAV: 19 -0.242892037597E+04 0.65129E-02 -0.25381E-03 2670 0.131E-01 0.593E-01
DAV: 20 -0.242892354998E+04 -0.31740E-02 -0.13173E-03 2310 0.827E-02 0.519E-01
DAV: 21 -0.242892572149E+04 -0.21715E-02 -0.14412E-03 2328 0.614E-02 0.491E-01
DAV: 22 -0.242892598610E+04 -0.26461E-03 -0.51782E-04 1923 0.246E-02 0.471E-01
DAV: 23 -0.242892591447E+04 0.71636E-04 -0.80862E-06 1383 0.361E-03 0.472E-01
DAV: 24 -0.242892648802E+04 -0.57355E-03 -0.15294E-05 1482 0.110E-02 0.463E-01
DAV: 25 -0.242892813865E+04 -0.16506E-02 -0.12788E-03 2436 0.116E-01 0.396E-01
DAV: 26 -0.242893133858E+04 -0.31999E-02 -0.17857E-03 2364 0.940E-02 0.354E-01
DAV: 27 -0.242893153839E+04 -0.19981E-03 -0.11794E-03 1905 0.336E-02 0.351E-01
DAV: 28 -0.242893215087E+04 -0.61248E-03 -0.62953E-05 2130 0.194E-02 0.343E-01
DAV: 29 -0.242893874229E+04 -0.65914E-02 -0.47311E-03 3102 0.215E-01 0.283E-01
DAV: 30 -0.242894230974E+04 -0.35674E-02 -0.85143E-03 2040 0.146E-01 0.366E-01
DAV: 31 -0.242894268959E+04 -0.37985E-03 -0.25080E-03 1941 0.525E-02 0.404E-01
DAV: 32 -0.242894289011E+04 -0.20052E-03 -0.54128E-05 2085 0.110E-02 0.408E-01
DAV: 33 -0.242894323002E+04 -0.33991E-03 -0.38290E-05 1923 0.131E-02 0.419E-01
DAV: 34 -0.242894574616E+04 -0.25161E-02 -0.46174E-04 2823 0.876E-02 0.478E-01
DAV: 35 -0.242895301474E+04 -0.72686E-02 -0.32609E-03 2697 0.193E-01 0.636E-01
DAV: 36 -0.242895339277E+04 -0.37804E-03 -0.46074E-03 1923 0.597E-02 0.701E-01
DAV: 37 -0.242895371774E+04 -0.32496E-03 -0.65844E-05 2076 0.101E-02 0.701E-01
DAV: 38 -0.242895560547E+04 -0.18877E-02 -0.11448E-04 2391 0.349E-02 0.731E-01
DAV: 39 -0.242895853773E+04 -0.29323E-02 -0.45182E-04 2364 0.527E-02 0.778E-01
DAV: 40 -0.242895836844E+04 0.16928E-03 -0.35505E-04 1896 0.177E-02 0.795E-01
DAV: 41 -0.242895843464E+04 -0.66195E-04 -0.43846E-06 1347 0.271E-03 0.796E-01
DAV: 42 -0.242895840992E+04 0.24718E-04 -0.11198E-06 1023 0.106E-03 0.796E-01
DAV: 43 -0.242895840386E+04 0.60627E-05 -0.96015E-06 1239 0.542E-03
2 F= -.24289584E+04 E0= -.24289667E+04 d E =0.105287E+00
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242911418018E+04 -0.15577E+00 -0.11753E+01 1704 0.422E+00 0.157E+00
DAV: 2 -0.242913163378E+04 -0.17454E-01 -0.44441E-01 2076 0.799E-01 0.795E-01
DAV: 3 -0.242912267810E+04 0.89557E-02 -0.41600E-02 2049 0.286E-01 0.408E-01
DAV: 4 -0.242911994997E+04 0.27281E-02 -0.11974E-02 2040 0.151E-01 0.189E-01
DAV: 5 -0.242911916266E+04 0.78731E-03 -0.40878E-03 2247 0.989E-02 0.109E-01
DAV: 6 -0.242911897332E+04 0.18934E-03 -0.23389E-03 2166 0.614E-02 0.760E-02
DAV: 7 -0.242911888356E+04 0.89761E-04 -0.36700E-04 2040 0.272E-02 0.532E-02
DAV: 8 -0.242911876915E+04 0.11441E-03 -0.64511E-05 1950 0.247E-02 0.241E-02
DAV: 9 -0.242911870616E+04 0.62995E-04 -0.10087E-04 2067 0.265E-02 0.124E-02
DAV: 10 -0.242911870178E+04 0.43818E-05 -0.11314E-04 2040 0.174E-02 0.113E-02
DAV: 11 -0.242911869979E+04 0.19865E-05 -0.18302E-05 1293 0.632E-03
3 F= -.24291187E+04 E0= -.24291279E+04 d E =-.550089E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242911908541E+04 -0.38363E-03 -0.29751E-02 1752 0.212E-01 0.673E-02
DAV: 2 -0.242911914801E+04 -0.62605E-04 -0.11203E-03 2076 0.386E-02 0.355E-02
DAV: 3 -0.242911912416E+04 0.23855E-04 -0.80572E-05 2085 0.120E-02 0.218E-02
DAV: 4 -0.242911911515E+04 0.90070E-05 -0.54258E-05 1545 0.964E-03
4 F= -.24291191E+04 E0= -.24291282E+04 d E =-.554243E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242912413161E+04 -0.50075E-02 -0.75906E+00 1704 0.338E+00 0.982E-01
DAV: 2 -0.242913890634E+04 -0.14775E-01 -0.22332E-01 2067 0.524E-01 0.439E-01
DAV: 3 -0.242913581475E+04 0.30916E-02 -0.21163E-02 2184 0.148E-01 0.273E-01
DAV: 4 -0.242913491997E+04 0.89478E-03 -0.10593E-02 2103 0.882E-02 0.162E-01
DAV: 5 -0.242913455266E+04 0.36731E-03 -0.26393E-03 2058 0.593E-02 0.525E-02
DAV: 6 -0.242913457018E+04 -0.17515E-04 -0.55967E-04 2058 0.328E-02 0.384E-02
DAV: 7 -0.242913456314E+04 0.70372E-05 -0.13382E-04 2049 0.158E-02 0.253E-02
DAV: 8 -0.242913455322E+04 0.99205E-05 -0.19067E-05 1473 0.728E-03
5 F= -.24291346E+04 E0= -.24291442E+04 d E =-.154381E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242913743407E+04 -0.28709E-02 -0.71615E-01 1704 0.104E+00 0.298E-01
DAV: 2 -0.242913875998E+04 -0.13259E-02 -0.20352E-02 2058 0.159E-01 0.133E-01
DAV: 3 -0.242913849240E+04 0.26758E-03 -0.21208E-03 2193 0.442E-02 0.863E-02
DAV: 4 -0.242913839126E+04 0.10114E-03 -0.88526E-04 2094 0.271E-02 0.489E-02
DAV: 5 -0.242913835796E+04 0.33306E-04 -0.23331E-04 2031 0.175E-02 0.160E-02
DAV: 6 -0.242913836053E+04 -0.25751E-05 -0.49689E-05 1824 0.938E-03
6 F= -.24291384E+04 E0= -.24291479E+04 d E =-.192454E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242914492904E+04 -0.65711E-02 -0.53034E+00 1704 0.284E+00 0.667E-01
DAV: 2 -0.242915438735E+04 -0.94583E-02 -0.13404E-01 2067 0.411E-01 0.328E-01
DAV: 3 -0.242915281968E+04 0.15677E-02 -0.95328E-03 2121 0.988E-02 0.210E-01
DAV: 4 -0.242915234492E+04 0.47476E-03 -0.57822E-03 2085 0.709E-02 0.132E-01
DAV: 5 -0.242915211463E+04 0.23028E-03 -0.18189E-03 2067 0.476E-02 0.413E-02
DAV: 6 -0.242915212101E+04 -0.63789E-05 -0.34644E-04 2049 0.268E-02 0.294E-02
DAV: 7 -0.242915211916E+04 0.18553E-05 -0.86919E-05 2022 0.124E-02
7 F= -.24291521E+04 E0= -.24291620E+04 d E =-.137586E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242915252518E+04 -0.40417E-03 -0.15191E-01 1704 0.481E-01 0.108E-01
DAV: 2 -0.242915276763E+04 -0.24245E-03 -0.37390E-03 2058 0.688E-02 0.558E-02
DAV: 3 -0.242915271690E+04 0.50737E-04 -0.23014E-04 2139 0.160E-02 0.356E-02
DAV: 4 -0.242915270097E+04 0.15924E-04 -0.16478E-04 2076 0.122E-02 0.235E-02
DAV: 5 -0.242915269179E+04 0.91867E-05 -0.62703E-05 1482 0.798E-03
8 F= -.24291527E+04 E0= -.24291626E+04 d E =-.143313E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242915458816E+04 -0.18872E-02 -0.25187E+00 1704 0.194E+00 0.477E-01
DAV: 2 -0.242915970764E+04 -0.51195E-02 -0.66996E-02 2049 0.292E-01 0.231E-01
DAV: 3 -0.242915897649E+04 0.73115E-03 -0.30472E-03 2139 0.704E-02 0.143E-01
DAV: 4 -0.242915879933E+04 0.17716E-03 -0.28286E-03 2094 0.512E-02 0.995E-02
DAV: 5 -0.242915867605E+04 0.12328E-03 -0.12950E-03 2130 0.345E-02 0.342E-02
DAV: 6 -0.242915867462E+04 0.14304E-05 -0.18757E-04 2058 0.195E-02 0.254E-02
DAV: 7 -0.242915867124E+04 0.33753E-05 -0.72082E-05 1995 0.119E-02
9 F= -.24291587E+04 E0= -.24291689E+04 d E =-.597946E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242915918406E+04 -0.50945E-03 -0.15960E-01 1704 0.487E-01 0.117E-01
DAV: 2 -0.242915948694E+04 -0.30287E-03 -0.42215E-03 2049 0.735E-02 0.593E-02
DAV: 3 -0.242915943542E+04 0.51515E-04 -0.18098E-04 2130 0.173E-02 0.366E-02
DAV: 4 -0.242915942256E+04 0.12861E-04 -0.18089E-04 2085 0.134E-02 0.251E-02
DAV: 5 -0.242915941374E+04 0.88171E-05 -0.76091E-05 1527 0.816E-03
10 F= -.24291594E+04 E0= -.24291697E+04 d E =-.672196E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242916376630E+04 -0.43437E-02 -0.15506E+00 1704 0.151E+00 0.309E-01
DAV: 2 -0.242916675863E+04 -0.29923E-02 -0.35945E-02 2049 0.210E-01 0.159E-01
DAV: 3 -0.242916643064E+04 0.32799E-03 -0.10025E-03 2103 0.431E-02 0.986E-02
DAV: 4 -0.242916635301E+04 0.77629E-04 -0.11487E-03 2067 0.372E-02 0.601E-02
DAV: 5 -0.242916631253E+04 0.40472E-04 -0.54421E-04 2130 0.210E-02 0.251E-02
DAV: 6 -0.242916631097E+04 0.15692E-05 -0.70880E-05 1941 0.117E-02
11 F= -.24291663E+04 E0= -.24291765E+04 d E =-.689722E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242916649468E+04 -0.18214E-03 -0.21155E-01 1716 0.557E-01 0.118E-01
DAV: 2 -0.242916691700E+04 -0.42233E-03 -0.49858E-03 2049 0.783E-02 0.585E-02
DAV: 3 -0.242916687373E+04 0.43276E-04 -0.12585E-04 2094 0.162E-02 0.359E-02
DAV: 4 -0.242916686398E+04 0.97457E-05 -0.14895E-04 2067 0.146E-02 0.205E-02
DAV: 5 -0.242916685929E+04 0.46942E-05 -0.63705E-05 1491 0.804E-03
12 F= -.24291669E+04 E0= -.24291769E+04 d E =-.744554E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242917053875E+04 -0.36748E-02 -0.86849E-01 1704 0.113E+00 0.237E-01
DAV: 2 -0.242917212894E+04 -0.15902E-02 -0.19669E-02 2040 0.155E-01 0.115E-01
DAV: 3 -0.242917196051E+04 0.16844E-03 -0.71826E-04 2094 0.326E-02 0.727E-02
DAV: 4 -0.242917191623E+04 0.44273E-04 -0.61747E-04 2211 0.261E-02 0.500E-02
DAV: 5 -0.242917188306E+04 0.33170E-04 -0.32171E-04 2112 0.173E-02 0.155E-02
DAV: 6 -0.242917188295E+04 0.10799E-06 -0.43174E-05 1743 0.910E-03
13 F= -.24291719E+04 E0= -.24291824E+04 d E =-.502367E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242917222820E+04 -0.34513E-03 -0.55592E-01 1704 0.901E-01 0.192E-01
DAV: 2 -0.242917324973E+04 -0.10215E-02 -0.12628E-02 2040 0.124E-01 0.916E-02
DAV: 3 -0.242917313689E+04 0.11283E-03 -0.48529E-04 2085 0.270E-02 0.585E-02
DAV: 4 -0.242917310175E+04 0.35146E-04 -0.43392E-04 2247 0.222E-02 0.417E-02
DAV: 5 -0.242917306802E+04 0.33726E-04 -0.22260E-04 2103 0.162E-02 0.134E-02
DAV: 6 -0.242917306188E+04 0.61399E-05 -0.39763E-05 1851 0.102E-02
14 F= -.24291731E+04 E0= -.24291844E+04 d E =-.620259E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242917549664E+04 -0.24286E-02 -0.68890E-01 1704 0.999E-01 0.207E-01
DAV: 2 -0.242917679528E+04 -0.12986E-02 -0.16396E-02 2049 0.141E-01 0.112E-01
DAV: 3 -0.242917664997E+04 0.14531E-03 -0.83331E-04 2094 0.313E-02 0.734E-02
DAV: 4 -0.242917660502E+04 0.44950E-04 -0.67521E-04 2229 0.243E-02 0.514E-02
DAV: 5 -0.242917656026E+04 0.44756E-04 -0.30985E-04 2094 0.179E-02 0.167E-02
DAV: 6 -0.242917655037E+04 0.98930E-05 -0.51160E-05 1977 0.116E-02
15 F= -.24291766E+04 E0= -.24291890E+04 d E =-.348849E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242917660988E+04 -0.49619E-04 -0.14999E-01 1716 0.466E-01 0.998E-02
DAV: 2 -0.242917688371E+04 -0.27383E-03 -0.36433E-03 2058 0.671E-02 0.532E-02
DAV: 3 -0.242917683680E+04 0.46912E-04 -0.22011E-04 2103 0.171E-02 0.373E-02
DAV: 4 -0.242917680226E+04 0.34535E-04 -0.17149E-04 2103 0.151E-02 0.272E-02
DAV: 5 -0.242917674155E+04 0.60714E-04 -0.67991E-05 1842 0.171E-02 0.198E-02
DAV: 6 -0.242917674455E+04 -0.30044E-05 -0.45649E-05 1833 0.679E-03
16 F= -.24291767E+04 E0= -.24291908E+04 d E =-.368267E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242917839691E+04 -0.16554E-02 -0.47974E-01 1704 0.838E-01 0.194E-01
DAV: 2 -0.242917932406E+04 -0.92714E-03 -0.11832E-02 2049 0.119E-01 0.967E-02
DAV: 3 -0.242917921644E+04 0.10761E-03 -0.60747E-04 2094 0.260E-02 0.637E-02
DAV: 4 -0.242917918583E+04 0.30612E-04 -0.60409E-04 2283 0.215E-02 0.480E-02
DAV: 5 -0.242917914472E+04 0.41111E-04 -0.26459E-04 2103 0.166E-02 0.170E-02
DAV: 6 -0.242917912975E+04 0.14969E-04 -0.43226E-05 1968 0.108E-02 0.165E-02
DAV: 7 -0.242917912390E+04 0.58516E-05 -0.14988E-05 1374 0.489E-03
17 F= -.24291791E+04 E0= -.24291941E+04 d E =-.237935E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242917891804E+04 0.21171E-03 -0.22443E-01 1716 0.573E-01 0.137E-01
DAV: 2 -0.242917935812E+04 -0.44008E-03 -0.55810E-03 2049 0.816E-02 0.662E-02
DAV: 3 -0.242917930912E+04 0.49002E-04 -0.33530E-04 2103 0.186E-02 0.449E-02
DAV: 4 -0.242917929059E+04 0.18523E-04 -0.30550E-04 2139 0.150E-02 0.333E-02
DAV: 5 -0.242917926187E+04 0.28720E-04 -0.11655E-04 2040 0.131E-02 0.145E-02
DAV: 6 -0.242917924941E+04 0.12463E-04 -0.28359E-05 1779 0.834E-03 0.159E-02
DAV: 7 -0.242917925897E+04 -0.95620E-05 -0.69558E-06 1185 0.409E-03
18 F= -.24291793E+04 E0= -.24291949E+04 d E =-.251442E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918068995E+04 -0.14405E-02 -0.40134E-01 1704 0.764E-01 0.156E-01
DAV: 2 -0.242918143293E+04 -0.74298E-03 -0.91129E-03 2040 0.104E-01 0.822E-02
DAV: 3 -0.242918136758E+04 0.65353E-04 -0.37646E-04 2067 0.215E-02 0.555E-02
DAV: 4 -0.242918134233E+04 0.25248E-04 -0.44155E-04 2310 0.199E-02 0.428E-02
DAV: 5 -0.242918128563E+04 0.56695E-04 -0.21303E-04 2076 0.180E-02 0.226E-02
DAV: 6 -0.242918127382E+04 0.11816E-04 -0.52474E-05 1968 0.883E-03 0.243E-02
DAV: 7 -0.242918127699E+04 -0.31684E-05 -0.36382E-06 1032 0.206E-03
19 F= -.24291813E+04 E0= -.24291978E+04 d E =-.201802E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918135642E+04 -0.82605E-04 -0.36757E-01 1704 0.731E-01 0.157E-01
DAV: 2 -0.242918200149E+04 -0.64507E-03 -0.85008E-03 2049 0.101E-01 0.827E-02
DAV: 3 -0.242918189469E+04 0.10681E-03 -0.55994E-04 2112 0.264E-02 0.646E-02
DAV: 4 -0.242918177818E+04 0.11651E-03 -0.45571E-04 2337 0.239E-02 0.518E-02
DAV: 5 -0.242918157723E+04 0.20095E-03 -0.12106E-04 2094 0.242E-02 0.580E-02
DAV: 6 -0.242918186515E+04 -0.28793E-03 -0.17039E-04 2517 0.397E-02 0.308E-02
DAV: 7 -0.242918194735E+04 -0.82193E-04 -0.30309E-04 2013 0.258E-02 0.220E-02
DAV: 8 -0.242918198282E+04 -0.35475E-04 -0.11289E-04 2292 0.182E-02 0.159E-02
DAV: 9 -0.242918199353E+04 -0.10703E-04 -0.19677E-05 1572 0.916E-03 0.103E-02
DAV: 10 -0.242918199628E+04 -0.27557E-05 -0.84681E-06 1347 0.616E-03
20 F= -.24291820E+04 E0= -.24291968E+04 d E =-.273731E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918369037E+04 -0.16968E-02 -0.35765E-01 1704 0.720E-01 0.175E-01
DAV: 2 -0.242918432168E+04 -0.63131E-03 -0.91353E-03 2049 0.105E-01 0.885E-02
DAV: 3 -0.242918411667E+04 0.20501E-03 -0.94350E-04 2184 0.346E-02 0.758E-02
DAV: 4 -0.242918392850E+04 0.18817E-03 -0.53852E-04 2184 0.266E-02 0.608E-02
DAV: 5 -0.242918377486E+04 0.15364E-03 -0.11698E-04 2004 0.175E-02 0.664E-02
DAV: 6 -0.242918413293E+04 -0.35808E-03 -0.12663E-04 2445 0.403E-02 0.481E-02
DAV: 7 -0.242918427391E+04 -0.14098E-03 -0.47385E-04 2301 0.364E-02 0.328E-02
DAV: 8 -0.242918434926E+04 -0.75347E-04 -0.27159E-04 2094 0.298E-02 0.214E-02
DAV: 9 -0.242918437968E+04 -0.30428E-04 -0.69768E-05 2031 0.182E-02 0.140E-02
DAV: 10 -0.242918439203E+04 -0.12350E-04 -0.46764E-05 1959 0.121E-02 0.111E-02
DAV: 11 -0.242918439639E+04 -0.43586E-05 -0.59245E-06 1419 0.756E-03
21 F= -.24291844E+04 E0= -.24291975E+04 d E =-.240011E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918457400E+04 -0.18197E-03 -0.16652E-01 1716 0.491E-01 0.119E-01
DAV: 2 -0.242918489232E+04 -0.31832E-03 -0.42315E-03 2049 0.714E-02 0.572E-02
DAV: 3 -0.242918482729E+04 0.65032E-04 -0.28322E-04 2121 0.201E-02 0.411E-02
DAV: 4 -0.242918478565E+04 0.41637E-04 -0.23857E-04 2211 0.171E-02 0.293E-02
DAV: 5 -0.242918470943E+04 0.76220E-04 -0.81496E-05 1932 0.193E-02 0.235E-02
DAV: 6 -0.242918473148E+04 -0.22046E-04 -0.47833E-05 1878 0.790E-03 0.225E-02
DAV: 7 -0.242918473552E+04 -0.40414E-05 -0.35432E-06 987 0.334E-03
22 F= -.24291847E+04 E0= -.24291991E+04 d E =-.273924E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918600216E+04 -0.12707E-02 -0.40132E-01 1704 0.763E-01 0.171E-01
DAV: 2 -0.242918670477E+04 -0.70261E-03 -0.98644E-03 2058 0.109E-01 0.980E-02
DAV: 3 -0.242918655531E+04 0.14947E-03 -0.97071E-04 2139 0.344E-02 0.719E-02
DAV: 4 -0.242918643653E+04 0.11877E-03 -0.62278E-04 2202 0.265E-02 0.508E-02
DAV: 5 -0.242918619590E+04 0.24064E-03 -0.19025E-04 2184 0.300E-02 0.500E-02
DAV: 6 -0.242918637809E+04 -0.18220E-03 -0.82914E-05 2085 0.232E-02 0.369E-02
DAV: 7 -0.242918651697E+04 -0.13887E-03 -0.22882E-04 2355 0.308E-02 0.294E-02
DAV: 8 -0.242918665737E+04 -0.14041E-03 -0.26165E-04 2355 0.389E-02 0.299E-02
DAV: 9 -0.242918673015E+04 -0.72775E-04 -0.19169E-04 2085 0.267E-02 0.314E-02
DAV: 10 -0.242918675543E+04 -0.25284E-04 -0.71242E-05 1995 0.118E-02 0.360E-02
DAV: 11 -0.242918676025E+04 -0.48158E-05 -0.68594E-06 1194 0.391E-03
23 F= -.24291868E+04 E0= -.24291990E+04 d E =-.202473E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918692803E+04 -0.17260E-03 -0.28874E-02 1734 0.205E-01 0.506E-02
DAV: 2 -0.242918696057E+04 -0.32542E-04 -0.79271E-04 2049 0.324E-02 0.321E-02
DAV: 3 -0.242918693614E+04 0.24428E-04 -0.13272E-04 2040 0.133E-02 0.242E-02
DAV: 4 -0.242918691478E+04 0.21358E-04 -0.54088E-05 1743 0.107E-02 0.174E-02
DAV: 5 -0.242918687540E+04 0.39384E-04 -0.22506E-05 1635 0.140E-02 0.154E-02
DAV: 6 -0.242918687149E+04 0.39102E-05 -0.37189E-05 1842 0.639E-03
24 F= -.24291869E+04 E0= -.24291998E+04 d E =-.213597E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918665895E+04 0.21645E-03 -0.11569E-01 1704 0.409E-01 0.939E-02
DAV: 2 -0.242918682845E+04 -0.16950E-03 -0.28721E-03 2049 0.599E-02 0.522E-02
DAV: 3 -0.242918675870E+04 0.69748E-04 -0.33827E-04 2148 0.205E-02 0.415E-02
DAV: 4 -0.242918669244E+04 0.66264E-04 -0.17329E-04 2139 0.168E-02 0.308E-02
DAV: 5 -0.242918657378E+04 0.11867E-03 -0.42536E-05 1932 0.207E-02 0.330E-02
DAV: 6 -0.242918671904E+04 -0.14527E-03 -0.46267E-05 2265 0.269E-02 0.234E-02
DAV: 7 -0.242918682513E+04 -0.10609E-03 -0.24064E-04 2355 0.329E-02 0.201E-02
DAV: 8 -0.242918691788E+04 -0.92753E-04 -0.20905E-04 2346 0.325E-02 0.246E-02
DAV: 9 -0.242918695691E+04 -0.39028E-04 -0.15001E-04 2013 0.154E-02 0.315E-02
DAV: 10 -0.242918696389E+04 -0.69786E-05 -0.67654E-06 1212 0.390E-03
25 F= -.24291870E+04 E0= -.24291988E+04 d E =-.222837E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918791751E+04 -0.96060E-03 -0.22612E-01 1704 0.571E-01 0.116E-01
DAV: 2 -0.242918826353E+04 -0.34603E-03 -0.50528E-03 2013 0.806E-02 0.625E-02
DAV: 3 -0.242918819347E+04 0.70063E-04 -0.31584E-04 2058 0.237E-02 0.426E-02
DAV: 4 -0.242918811407E+04 0.79400E-04 -0.15437E-04 2139 0.208E-02 0.318E-02
DAV: 5 -0.242918801871E+04 0.95364E-04 -0.12694E-04 2040 0.210E-02 0.290E-02
DAV: 6 -0.242918801411E+04 0.45960E-05 -0.74803E-05 1932 0.924E-03
26 F= -.24291880E+04 E0= -.24292021E+04 d E =-.105022E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918750011E+04 0.51859E-03 -0.10516E+00 1704 0.123E+00 0.243E-01
DAV: 2 -0.242918913868E+04 -0.16386E-02 -0.22941E-02 2013 0.169E-01 0.136E-01
DAV: 3 -0.242918859012E+04 0.54856E-03 -0.95927E-04 2067 0.507E-02 0.109E-01
DAV: 4 -0.242918778232E+04 0.80781E-03 -0.63089E-04 2391 0.518E-02 0.118E-01
DAV: 5 -0.242918836638E+04 -0.58407E-03 -0.45930E-04 2094 0.325E-02 0.107E-01
DAV: 6 -0.242918874683E+04 -0.38045E-03 -0.12626E-03 2499 0.478E-02 0.702E-02
DAV: 7 -0.242918920582E+04 -0.45899E-03 -0.89993E-04 2310 0.580E-02 0.609E-02
DAV: 8 -0.242918944733E+04 -0.24151E-03 -0.41621E-04 2103 0.375E-02 0.599E-02
DAV: 9 -0.242918957033E+04 -0.12300E-03 -0.16660E-04 2031 0.236E-02 0.626E-02
DAV: 10 -0.242918966938E+04 -0.99045E-04 -0.22629E-05 1788 0.225E-02 0.540E-02
DAV: 11 -0.242918991869E+04 -0.24931E-03 -0.14833E-04 2427 0.558E-02 0.452E-02
DAV: 12 -0.242919003184E+04 -0.11315E-03 -0.42725E-04 2022 0.222E-02 0.600E-02
DAV: 13 -0.242919000232E+04 0.29511E-04 -0.42178E-05 1887 0.834E-03 0.661E-02
DAV: 14 -0.242919000088E+04 0.14442E-05 -0.31150E-06 1005 0.181E-03
27 F= -.24291900E+04 E0= -.24292007E+04 d E =-.303699E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919156558E+04 -0.15633E-02 -0.14470E-01 1704 0.462E-01 0.133E-01
DAV: 2 -0.242919164808E+04 -0.82498E-04 -0.40464E-03 2067 0.798E-02 0.690E-02
DAV: 3 -0.242919148684E+04 0.16124E-03 -0.57798E-04 2031 0.369E-02 0.455E-02
DAV: 4 -0.242919132808E+04 0.15877E-03 -0.11031E-04 2022 0.267E-02 0.381E-02
DAV: 5 -0.242919116435E+04 0.16372E-03 -0.19138E-04 2148 0.289E-02 0.345E-02
DAV: 6 -0.242919114431E+04 0.20044E-04 -0.14956E-04 1995 0.134E-02 0.364E-02
DAV: 7 -0.242919115889E+04 -0.14586E-04 -0.35636E-06 1086 0.244E-03 0.378E-02
DAV: 8 -0.242919151444E+04 -0.35554E-03 -0.17156E-04 2373 0.481E-02 0.769E-02
DAV: 9 -0.242919206333E+04 -0.54889E-03 -0.72614E-04 2355 0.895E-02 0.127E-01
DAV: 10 -0.242919163597E+04 0.42736E-03 -0.49012E-04 2112 0.699E-02 0.779E-02
DAV: 11 -0.242919139810E+04 0.23787E-03 -0.31950E-04 2265 0.399E-02 0.674E-02
DAV: 12 -0.242919112699E+04 0.27111E-03 -0.28082E-04 2283 0.464E-02 0.714E-02
DAV: 13 -0.242919198123E+04 -0.85423E-03 -0.88923E-04 2670 0.164E-01 0.693E-02
DAV: 14 -0.242919225500E+04 -0.27377E-03 -0.16473E-03 1968 0.324E-02 0.735E-02
DAV: 15 -0.242919218690E+04 0.68094E-04 -0.81091E-05 1941 0.120E-02 0.656E-02
DAV: 16 -0.242919092686E+04 0.12600E-02 -0.12936E-03 2886 0.180E-01 0.945E-02
DAV: 17 -0.242918439991E+04 0.65269E-02 -0.77992E-03 2589 0.271E-01 0.316E-01
DAV: 18 -0.242918629383E+04 -0.18939E-02 -0.77339E-03 1923 0.788E-02 0.273E-01
DAV: 19 -0.242918636935E+04 -0.75515E-04 -0.19442E-04 2148 0.138E-02 0.266E-01
DAV: 20 -0.242918600675E+04 0.36260E-03 -0.12705E-05 1473 0.969E-03 0.276E-01
DAV: 21 -0.242918938127E+04 -0.33745E-02 -0.20413E-03 2787 0.124E-01 0.149E-01
DAV: 22 -0.242918964551E+04 -0.26424E-03 -0.10510E-03 1932 0.240E-02 0.142E-01
DAV: 23 -0.242919091263E+04 -0.12671E-02 -0.77342E-04 2832 0.121E-01 0.876E-02
DAV: 24 -0.242919125229E+04 -0.33966E-03 -0.16414E-03 2031 0.464E-02 0.698E-02
DAV: 25 -0.242919131280E+04 -0.60512E-04 -0.28900E-04 1977 0.184E-02 0.522E-02
DAV: 26 -0.242919152190E+04 -0.20910E-03 -0.76168E-05 2265 0.401E-02 0.462E-02
DAV: 27 -0.242919174401E+04 -0.22211E-03 -0.30089E-04 2310 0.432E-02 0.485E-02
DAV: 28 -0.242919200734E+04 -0.26333E-03 -0.34357E-04 2355 0.447E-02 0.574E-02
DAV: 29 -0.242919202972E+04 -0.22385E-04 -0.27087E-04 1896 0.159E-02 0.598E-02
DAV: 30 -0.242919207653E+04 -0.46805E-04 -0.19355E-06 1401 0.653E-03 0.607E-02
DAV: 31 -0.242919209455E+04 -0.18028E-04 -0.63368E-06 1194 0.327E-03 0.626E-02
DAV: 32 -0.242919208209E+04 0.12464E-04 -0.18875E-06 987 0.212E-03 0.627E-02
DAV: 33 -0.242919197964E+04 0.10245E-03 -0.36593E-06 1464 0.138E-02 0.608E-02
DAV: 34 -0.242919154676E+04 0.43288E-03 -0.24213E-04 2562 0.650E-02 0.565E-02
DAV: 35 -0.242919100608E+04 0.54068E-03 -0.86615E-04 2364 0.859E-02 0.610E-02
DAV: 36 -0.242919096191E+04 0.44168E-04 -0.11323E-03 2013 0.364E-02 0.592E-02
DAV: 37 -0.242919098978E+04 -0.27876E-04 -0.54099E-05 1842 0.777E-03 0.609E-02
DAV: 38 -0.242919110332E+04 -0.11353E-03 -0.53782E-06 1545 0.174E-02 0.546E-02
DAV: 39 -0.242919136865E+04 -0.26533E-03 -0.22451E-04 2418 0.512E-02 0.424E-02
DAV: 40 -0.242919141092E+04 -0.42266E-04 -0.32796E-04 1914 0.154E-02 0.468E-02
DAV: 41 -0.242919140410E+04 0.68115E-05 -0.31521E-06 1266 0.257E-03
28 F= -.24291914E+04 E0= -.24292037E+04 d E =-.140322E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919173448E+04 -0.32357E-03 -0.10915E-01 1704 0.401E-01 0.115E-01
DAV: 2 -0.242919174571E+04 -0.11227E-04 -0.28999E-03 2076 0.691E-02 0.652E-02
DAV: 3 -0.242919150645E+04 0.23926E-03 -0.50522E-04 2076 0.383E-02 0.525E-02
DAV: 4 -0.242919128591E+04 0.22054E-03 -0.17645E-04 2085 0.270E-02 0.568E-02
DAV: 5 -0.242919142528E+04 -0.13937E-03 -0.98892E-05 2013 0.159E-02 0.568E-02
DAV: 6 -0.242919163141E+04 -0.20613E-03 -0.10592E-04 2220 0.301E-02 0.457E-02
DAV: 7 -0.242919212071E+04 -0.48930E-03 -0.92624E-04 2607 0.858E-02 0.504E-02
DAV: 8 -0.242919275223E+04 -0.63152E-03 -0.15664E-03 2364 0.848E-02 0.887E-02
DAV: 9 -0.242919266322E+04 0.89007E-04 -0.92933E-04 1959 0.345E-02 0.115E-01
DAV: 10 -0.242919255159E+04 0.11164E-03 -0.87315E-05 2022 0.141E-02 0.100E-01
DAV: 11 -0.242919246317E+04 0.88416E-04 -0.12829E-04 1995 0.150E-02 0.749E-02
DAV: 12 -0.242919234121E+04 0.12196E-03 -0.64878E-05 1842 0.189E-02 0.576E-02
DAV: 13 -0.242919190367E+04 0.43753E-03 -0.86105E-04 2859 0.872E-02 0.867E-02
DAV: 14 -0.242919074267E+04 0.11610E-02 -0.23880E-03 2652 0.151E-01 0.177E-01
DAV: 15 -0.242919148820E+04 -0.74553E-03 -0.22043E-03 2004 0.658E-02 0.182E-01
DAV: 16 -0.242919157664E+04 -0.88438E-04 -0.49139E-04 2328 0.366E-02 0.144E-01
DAV: 17 -0.242919162887E+04 -0.52235E-04 -0.14143E-04 2022 0.130E-02 0.128E-01
DAV: 18 -0.242919183490E+04 -0.20603E-03 -0.34379E-04 2769 0.637E-02 0.702E-02
DAV: 19 -0.242919213013E+04 -0.29523E-03 -0.12863E-03 2328 0.631E-02 0.474E-02
DAV: 20 -0.242919220377E+04 -0.73642E-04 -0.51973E-04 1878 0.233E-02 0.602E-02
DAV: 21 -0.242919226120E+04 -0.57432E-04 -0.10244E-05 1572 0.914E-03 0.641E-02
DAV: 22 -0.242919230886E+04 -0.47657E-04 -0.22695E-05 1653 0.851E-03 0.682E-02
DAV: 23 -0.242919238489E+04 -0.76038E-04 -0.28959E-06 1365 0.114E-02 0.713E-02
DAV: 24 -0.242919245821E+04 -0.73313E-04 -0.42265E-05 1923 0.115E-02 0.789E-02
DAV: 25 -0.242919245868E+04 -0.47336E-06 -0.15490E-05 1203 0.412E-03
29 F= -.24291925E+04 E0= -.24292032E+04 d E =-.245780E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919359074E+04 -0.11325E-02 -0.16808E-01 1704 0.499E-01 0.153E-01
DAV: 2 -0.242919360329E+04 -0.12547E-04 -0.47852E-03 2058 0.879E-02 0.792E-02
DAV: 3 -0.242919343697E+04 0.16632E-03 -0.12312E-03 2040 0.419E-02 0.603E-02
DAV: 4 -0.242919329746E+04 0.13951E-03 -0.43536E-04 2238 0.250E-02 0.418E-02
DAV: 5 -0.242919306645E+04 0.23101E-03 -0.12761E-04 2121 0.290E-02 0.396E-02
DAV: 6 -0.242919307402E+04 -0.75687E-05 -0.12729E-04 1914 0.104E-02 0.380E-02
DAV: 7 -0.242919307678E+04 -0.27628E-05 -0.15370E-06 1068 0.160E-03
30 F= -.24291931E+04 E0= -.24292066E+04 d E =-.618100E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919303228E+04 0.41740E-04 -0.14994E-01 1734 0.473E-01 0.160E-01
DAV: 2 -0.242919272885E+04 0.30342E-03 -0.47739E-03 2049 0.941E-02 0.106E-01
DAV: 3 -0.242919206295E+04 0.66590E-03 -0.14790E-03 2040 0.565E-02 0.114E-01
DAV: 4 -0.242919204464E+04 0.18310E-04 -0.31545E-04 1914 0.191E-02 0.110E-01
DAV: 5 -0.242919216580E+04 -0.12115E-03 -0.34650E-05 1698 0.134E-02 0.107E-01
DAV: 6 -0.242919309921E+04 -0.93341E-03 -0.21934E-03 2310 0.822E-02 0.205E-01
DAV: 7 -0.242919349682E+04 -0.39761E-03 -0.13156E-03 1860 0.382E-02 0.319E-01
DAV: 8 -0.242919342961E+04 0.67207E-04 -0.29517E-05 1707 0.639E-03 0.296E-01
DAV: 9 -0.242919535936E+04 -0.19298E-02 -0.31161E-03 1905 0.666E-02 0.593E-01
DAV: 10 -0.242919346043E+04 0.18989E-02 -0.13133E-02 2013 0.128E-01 0.137E-01
DAV: 11 -0.242919540257E+04 -0.19421E-02 -0.68222E-03 2049 0.910E-02 0.514E-01
DAV: 12 -0.242919524611E+04 0.15646E-03 -0.56441E-04 1941 0.265E-02 0.459E-01
DAV: 13 -0.242919497918E+04 0.26693E-03 -0.13135E-04 2031 0.118E-02 0.403E-01
DAV: 14 -0.242919460848E+04 0.37070E-03 -0.20614E-04 1959 0.147E-02 0.309E-01
DAV: 15 -0.242919385681E+04 0.75167E-03 -0.16242E-03 2058 0.507E-02 0.209E-01
DAV: 16 -0.242919415920E+04 -0.30239E-03 -0.25754E-04 2121 0.512E-02 0.161E-01
DAV: 17 -0.242919449293E+04 -0.33373E-03 -0.59378E-04 2409 0.835E-02 0.177E-01
DAV: 18 -0.242919481476E+04 -0.32183E-03 -0.19286E-03 2040 0.635E-02 0.102E-01
DAV: 19 -0.242919490418E+04 -0.89421E-04 -0.39310E-04 1941 0.211E-02 0.105E-01
DAV: 20 -0.242919475668E+04 0.14750E-03 -0.59620E-05 1995 0.145E-02 0.991E-02
DAV: 21 -0.242919421419E+04 0.54249E-03 -0.86367E-04 2292 0.716E-02 0.129E-01
DAV: 22 -0.242919346760E+04 0.74659E-03 -0.12032E-03 2400 0.962E-02 0.119E-01
DAV: 23 -0.242919315293E+04 0.31467E-03 -0.17815E-03 2040 0.674E-02 0.110E-01
DAV: 24 -0.242919227954E+04 0.87339E-03 -0.20793E-04 2751 0.692E-02 0.157E-01
DAV: 25 -0.242919376168E+04 -0.14821E-02 -0.93958E-04 2544 0.163E-01 0.546E-02
DAV: 26 -0.242919403330E+04 -0.27161E-03 -0.16414E-03 1968 0.318E-02 0.797E-02
DAV: 27 -0.242919407086E+04 -0.37564E-04 -0.31704E-05 1842 0.126E-02 0.620E-02
DAV: 28 -0.242919460006E+04 -0.52920E-03 -0.18386E-04 2409 0.763E-02 0.573E-02
DAV: 29 -0.242919503461E+04 -0.43455E-03 -0.62662E-04 2031 0.464E-02 0.770E-02
DAV: 30 -0.242919517776E+04 -0.14315E-03 -0.37810E-04 2013 0.216E-02 0.820E-02
DAV: 31 -0.242919518671E+04 -0.89507E-05 -0.13223E-05 1311 0.354E-03
31 F= -.24291952E+04 E0= -.24292046E+04 d E =-.272803E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919606153E+04 -0.88377E-03 -0.14998E-01 1704 0.468E-01 0.136E-01
DAV: 2 -0.242919565385E+04 0.40768E-03 -0.44686E-03 2139 0.927E-02 0.832E-02
DAV: 3 -0.242919536630E+04 0.28755E-03 -0.20409E-03 2049 0.509E-02 0.670E-02
DAV: 4 -0.242919507729E+04 0.28901E-03 -0.43663E-04 2148 0.365E-02 0.428E-02
DAV: 5 -0.242919458030E+04 0.49698E-03 -0.20874E-04 2328 0.566E-02 0.398E-02
DAV: 6 -0.242919420091E+04 0.37939E-03 -0.58646E-04 2067 0.504E-02 0.471E-02
DAV: 7 -0.242919485998E+04 -0.65907E-03 -0.41082E-04 2319 0.768E-02 0.475E-02
DAV: 8 -0.242919570196E+04 -0.84198E-03 -0.14416E-03 2472 0.107E-01 0.630E-02
DAV: 9 -0.242919513821E+04 0.56374E-03 -0.65422E-04 2139 0.705E-02 0.607E-02
DAV: 10 -0.242919477653E+04 0.36168E-03 -0.61625E-04 2562 0.547E-02 0.498E-02
DAV: 11 -0.242919309511E+04 0.16814E-02 -0.13031E-03 2976 0.158E-01 0.110E-01
DAV: 12 -0.242919475848E+04 -0.16634E-02 -0.11265E-03 2643 0.155E-01 0.607E-02
DAV: 13 -0.242919607512E+04 -0.13166E-02 -0.37077E-03 2886 0.158E-01 0.710E-02
DAV: 14 -0.242919749675E+04 -0.14216E-02 -0.36301E-03 2058 0.969E-02 0.135E-01
DAV: 15 -0.242919890126E+04 -0.14045E-02 -0.14265E-03 2427 0.779E-02 0.183E-01
DAV: 16 -0.242919857272E+04 0.32855E-03 -0.66431E-04 1959 0.291E-02 0.193E-01
DAV: 17 -0.242919807571E+04 0.49701E-03 -0.85232E-05 2184 0.251E-02 0.179E-01
DAV: 18 -0.242919685599E+04 0.12197E-02 -0.34342E-04 2589 0.684E-02 0.147E-01
DAV: 19 -0.242919634339E+04 0.51260E-03 -0.91997E-04 2040 0.471E-02 0.111E-01
DAV: 20 -0.242919632243E+04 0.20956E-04 -0.26965E-04 1959 0.170E-02 0.100E-01
DAV: 21 -0.242919545716E+04 0.86527E-03 -0.31009E-04 2715 0.757E-02 0.791E-02
DAV: 22 -0.242919500909E+04 0.44807E-03 -0.10091E-03 2328 0.617E-02 0.590E-02
DAV: 23 -0.242919501454E+04 -0.54484E-05 -0.52392E-04 1941 0.230E-02 0.673E-02
DAV: 24 -0.242919502147E+04 -0.69332E-05 -0.72228E-06 1383 0.293E-03
32 F= -.24291950E+04 E0= -.24292063E+04 d E =0.165237E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919519886E+04 -0.18432E-03 -0.13904E-01 1704 0.451E-01 0.123E-01
DAV: 2 -0.242919504208E+04 0.15678E-03 -0.36325E-03 2076 0.753E-02 0.721E-02
DAV: 3 -0.242919471260E+04 0.32948E-03 -0.90481E-04 2085 0.405E-02 0.670E-02
DAV: 4 -0.242919442705E+04 0.28555E-03 -0.38226E-04 2148 0.321E-02 0.606E-02
DAV: 5 -0.242919457106E+04 -0.14401E-03 -0.12796E-04 2022 0.149E-02 0.636E-02
DAV: 6 -0.242919471663E+04 -0.14557E-03 -0.47275E-05 1878 0.173E-02 0.589E-02
DAV: 7 -0.242919597900E+04 -0.12624E-02 -0.15329E-03 3012 0.149E-01 0.720E-02
DAV: 8 -0.242919731930E+04 -0.13403E-02 -0.41373E-03 2040 0.984E-02 0.143E-01
DAV: 9 -0.242919737668E+04 -0.57373E-04 -0.12729E-03 1923 0.353E-02 0.174E-01
DAV: 10 -0.242919606915E+04 0.13075E-02 -0.32092E-04 2634 0.883E-02 0.145E-01
DAV: 11 -0.242919371636E+04 0.23528E-02 -0.31416E-03 2679 0.191E-01 0.142E-01
DAV: 12 -0.242919339706E+04 0.31929E-03 -0.50155E-03 2022 0.795E-02 0.136E-01
DAV: 13 -0.242919399315E+04 -0.59608E-03 -0.43174E-04 2076 0.410E-02 0.109E-01
DAV: 14 -0.242919487098E+04 -0.87783E-03 -0.49479E-04 2373 0.875E-02 0.710E-02
DAV: 15 -0.242919587018E+04 -0.99920E-03 -0.13463E-03 2400 0.114E-01 0.712E-02
DAV: 16 -0.242919650954E+04 -0.63936E-03 -0.20910E-03 2031 0.587E-02 0.103E-01
DAV: 17 -0.242919657095E+04 -0.61408E-04 -0.20934E-04 1950 0.141E-02 0.111E-01
DAV: 18 -0.242919655779E+04 0.13160E-04 -0.32113E-06 1158 0.233E-03 0.110E-01
DAV: 19 -0.242919654306E+04 0.14729E-04 -0.92251E-07 1005 0.156E-03 0.111E-01
DAV: 20 -0.242919627059E+04 0.27246E-03 -0.46869E-05 1923 0.221E-02 0.119E-01
DAV: 21 -0.242919610389E+04 0.16671E-03 -0.68636E-05 2004 0.157E-02 0.125E-01
DAV: 22 -0.242919593699E+04 0.16690E-03 -0.72757E-05 2049 0.166E-02 0.121E-01
DAV: 23 -0.242919529656E+04 0.64043E-03 -0.11120E-04 2382 0.630E-02 0.137E-01
DAV: 24 -0.242919476122E+04 0.53534E-03 -0.52362E-04 2148 0.559E-02 0.157E-01
DAV: 25 -0.242919454719E+04 0.21403E-03 -0.56629E-04 2040 0.319E-02 0.149E-01
DAV: 26 -0.242919469366E+04 -0.14648E-03 -0.89313E-05 2067 0.148E-02 0.134E-01
DAV: 27 -0.242919480366E+04 -0.10999E-03 -0.22450E-05 1698 0.113E-02 0.129E-01
DAV: 28 -0.242919502268E+04 -0.21902E-03 -0.21730E-05 1824 0.236E-02 0.117E-01
DAV: 29 -0.242919567330E+04 -0.65062E-03 -0.25885E-04 2400 0.735E-02 0.900E-02
DAV: 30 -0.242919644868E+04 -0.77538E-03 -0.85793E-04 2265 0.739E-02 0.941E-02
DAV: 31 -0.242919798616E+04 -0.15375E-02 -0.78152E-04 2310 0.110E-01 0.122E-01
DAV: 32 -0.242919711465E+04 0.87151E-03 -0.11672E-03 2040 0.643E-02 0.129E-01
DAV: 33 -0.242919745618E+04 -0.34153E-03 -0.77613E-05 1842 0.224E-02 0.123E-01
DAV: 34 -0.242919746507E+04 -0.88935E-05 -0.41428E-05 1770 0.549E-03
33 F= -.24291975E+04 E0= -.24292066E+04 d E =-.227836E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919654003E+04 0.91614E-03 -0.55628E-01 1704 0.902E-01 0.232E-01
DAV: 2 -0.242919609750E+04 0.44253E-03 -0.15014E-02 2130 0.160E-01 0.139E-01
DAV: 3 -0.242919545105E+04 0.64645E-03 -0.47982E-03 2049 0.777E-02 0.109E-01
DAV: 4 -0.242919483233E+04 0.61872E-03 -0.11681E-03 2166 0.525E-02 0.707E-02
DAV: 5 -0.242919363470E+04 0.11976E-02 -0.43488E-04 2337 0.813E-02 0.756E-02
DAV: 6 -0.242919366882E+04 -0.34122E-04 -0.87649E-04 1941 0.268E-02 0.740E-02
DAV: 7 -0.242919378915E+04 -0.12032E-03 -0.28105E-05 1806 0.818E-03 0.788E-02
DAV: 8 -0.242919452880E+04 -0.73965E-03 -0.15658E-04 2436 0.435E-02 0.117E-01
DAV: 9 -0.242920068874E+04 -0.61599E-02 -0.42079E-03 2310 0.286E-01 0.419E-01
DAV: 10 -0.242919198593E+04 0.87028E-02 -0.89867E-03 2283 0.398E-01 0.150E-01
DAV: 11 -0.242919043003E+04 0.15559E-02 -0.53983E-03 2067 0.840E-02 0.245E-01
DAV: 12 -0.242919270581E+04 -0.22758E-02 -0.12598E-03 2112 0.920E-02 0.980E-02
DAV: 13 -0.242919154231E+04 0.11635E-02 -0.12999E-04 2112 0.590E-02 0.177E-01
DAV: 14 -0.242919271378E+04 -0.11715E-02 -0.24701E-04 2454 0.561E-02 0.123E-01
DAV: 15 -0.242919406605E+04 -0.13523E-02 -0.52185E-04 2310 0.841E-02 0.107E-01
DAV: 16 -0.242919582629E+04 -0.17602E-02 -0.11114E-03 2220 0.123E-01 0.185E-01
DAV: 17 -0.242919623768E+04 -0.41138E-03 -0.18248E-03 1977 0.397E-02 0.177E-01
DAV: 18 -0.242919629695E+04 -0.59275E-04 -0.42275E-05 1950 0.699E-03 0.176E-01
DAV: 19 -0.242919638314E+04 -0.86189E-04 -0.27975E-06 1311 0.494E-03 0.180E-01
DAV: 20 -0.242919665396E+04 -0.27082E-03 -0.70939E-06 1482 0.152E-02 0.192E-01
DAV: 21 -0.242919608689E+04 0.56707E-03 -0.76965E-05 2067 0.301E-02 0.174E-01
DAV: 22 -0.242919683156E+04 -0.74467E-03 -0.41073E-05 2085 0.405E-02 0.197E-01
DAV: 23 -0.242919691407E+04 -0.82515E-04 -0.68104E-05 1923 0.681E-03 0.201E-01
DAV: 24 -0.242919712886E+04 -0.21479E-03 -0.38693E-06 1500 0.122E-02 0.214E-01
DAV: 25 -0.242919673331E+04 0.39555E-03 -0.14193E-04 2184 0.238E-02 0.204E-01
DAV: 26 -0.242919648108E+04 0.25223E-03 -0.79274E-05 2067 0.167E-02 0.193E-01
DAV: 27 -0.242919630606E+04 0.17502E-03 -0.38422E-05 1950 0.134E-02 0.184E-01
DAV: 28 -0.242919566958E+04 0.63647E-03 -0.46228E-05 2130 0.371E-02 0.165E-01
DAV: 29 -0.242919443737E+04 0.12322E-02 -0.55965E-04 2328 0.814E-02 0.134E-01
DAV: 30 -0.242919409480E+04 0.34257E-03 -0.10101E-03 2067 0.419E-02 0.144E-01
DAV: 31 -0.242919402673E+04 0.68065E-04 -0.18678E-04 2004 0.155E-02 0.145E-01
DAV: 32 -0.242919401176E+04 0.14978E-04 -0.49417E-06 1221 0.257E-03 0.144E-01
DAV: 33 -0.242919410983E+04 -0.98076E-04 -0.16747E-06 1338 0.683E-03 0.146E-01
DAV: 34 -0.242919438738E+04 -0.27755E-03 -0.33640E-05 1833 0.199E-02 0.161E-01
DAV: 35 -0.242919440946E+04 -0.22074E-04 -0.43168E-05 1842 0.591E-03 0.161E-01
DAV: 36 -0.242919447925E+04 -0.69796E-04 -0.11989E-06 1320 0.529E-03 0.167E-01
DAV: 37 -0.242919449908E+04 -0.19828E-04 -0.54947E-06 1275 0.410E-03 0.160E-01
DAV: 38 -0.242919438836E+04 0.11072E-03 -0.41425E-05 1914 0.127E-02 0.144E-01
DAV: 39 -0.242919433658E+04 0.51785E-04 -0.23545E-05 1563 0.640E-03 0.144E-01
DAV: 40 -0.242919428196E+04 0.54622E-04 -0.45738E-06 1248 0.501E-03 0.141E-01
DAV: 41 -0.242919427893E+04 0.30239E-05 -0.48306E-06 996 0.233E-03
34 F= -.24291943E+04 E0= -.24292071E+04 d E =0.907776E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919453865E+04 -0.25670E-03 -0.25135E-01 1704 0.607E-01 0.182E-01
DAV: 2 -0.242919449238E+04 0.46276E-04 -0.57300E-03 2058 0.947E-02 0.106E-01
DAV: 3 -0.242919377347E+04 0.71891E-03 -0.78459E-04 2319 0.593E-02 0.968E-02
DAV: 4 -0.242919351121E+04 0.26226E-03 -0.65148E-04 2040 0.319E-02 0.101E-01
DAV: 5 -0.242919385696E+04 -0.34575E-03 -0.78828E-05 2076 0.181E-02 0.102E-01
DAV: 6 -0.242919497901E+04 -0.11220E-02 -0.92819E-04 2481 0.835E-02 0.128E-01
DAV: 7 -0.242919550067E+04 -0.52166E-03 -0.13246E-03 2085 0.568E-02 0.128E-01
DAV: 8 -0.242919686212E+04 -0.13615E-02 -0.57102E-04 2814 0.117E-01 0.152E-01
DAV: 9 -0.242919608693E+04 0.77519E-03 -0.75452E-04 2094 0.668E-02 0.113E-01
DAV: 10 -0.242919549449E+04 0.59244E-03 -0.47355E-04 2643 0.609E-02 0.118E-01
DAV: 11 -0.242919308773E+04 0.24068E-02 -0.25399E-03 2859 0.189E-01 0.184E-01
DAV: 12 -0.242919402855E+04 -0.94082E-03 -0.24864E-03 1968 0.555E-02 0.193E-01
DAV: 13 -0.242919415895E+04 -0.13040E-03 -0.27300E-04 2364 0.314E-02 0.161E-01
DAV: 14 -0.242919368565E+04 0.47329E-03 -0.26760E-04 2031 0.250E-02 0.136E-01
DAV: 15 -0.242919358971E+04 0.95941E-04 -0.31142E-04 2004 0.185E-02 0.119E-01
DAV: 16 -0.242919347700E+04 0.11271E-03 -0.39476E-05 1977 0.818E-03 0.118E-01
DAV: 17 -0.242919378170E+04 -0.30470E-03 -0.26355E-05 1914 0.219E-02 0.104E-01
DAV: 18 -0.242919424126E+04 -0.45956E-03 -0.41006E-04 2319 0.405E-02 0.974E-02
DAV: 19 -0.242919429975E+04 -0.58492E-04 -0.22925E-04 1896 0.150E-02 0.106E-01
DAV: 20 -0.242919438029E+04 -0.80537E-04 -0.17686E-06 1419 0.624E-03 0.103E-01
DAV: 21 -0.242919477891E+04 -0.39862E-03 -0.70983E-05 2202 0.331E-02 0.930E-02
DAV: 22 -0.242919570786E+04 -0.92896E-03 -0.73309E-04 2571 0.851E-02 0.116E-01
DAV: 23 -0.242919591299E+04 -0.20512E-03 -0.99881E-04 1941 0.294E-02 0.151E-01
DAV: 24 -0.242919591821E+04 -0.52241E-05 -0.18647E-05 1671 0.433E-03
35 F= -.24291959E+04 E0= -.24292068E+04 d E =-.731501E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919681194E+04 -0.89895E-03 -0.21270E-01 1704 0.555E-01 0.199E-01
DAV: 2 -0.242919620924E+04 0.60270E-03 -0.75474E-03 2166 0.118E-01 0.115E-01
DAV: 3 -0.242919580441E+04 0.40484E-03 -0.37775E-03 2013 0.687E-02 0.100E-01
DAV: 4 -0.242919533440E+04 0.47000E-03 -0.10113E-03 2238 0.411E-02 0.740E-02
DAV: 5 -0.242919511304E+04 0.22136E-03 -0.30501E-04 2004 0.224E-02 0.771E-02
DAV: 6 -0.242919527169E+04 -0.15865E-03 -0.55725E-05 1932 0.120E-02 0.777E-02
DAV: 7 -0.242919685415E+04 -0.15825E-02 -0.12236E-03 2778 0.161E-01 0.815E-02
DAV: 8 -0.242919817060E+04 -0.13165E-02 -0.38875E-03 2040 0.105E-01 0.121E-01
DAV: 9 -0.242919788332E+04 0.28729E-03 -0.14312E-03 1986 0.446E-02 0.115E-01
DAV: 10 -0.242919711727E+04 0.76605E-03 -0.67439E-04 2580 0.690E-02 0.108E-01
DAV: 11 -0.242919649393E+04 0.62334E-03 -0.32333E-03 2526 0.119E-01 0.157E-01
DAV: 12 -0.242919667282E+04 -0.17889E-03 -0.14627E-03 1914 0.380E-02 0.189E-01
DAV: 13 -0.242919646452E+04 0.20830E-03 -0.10424E-05 1644 0.170E-02 0.180E-01
DAV: 14 -0.242919617290E+04 0.29162E-03 -0.42764E-05 1941 0.199E-02 0.168E-01
DAV: 15 -0.242919747528E+04 -0.13024E-02 -0.39129E-04 2328 0.906E-02 0.234E-01
DAV: 16 -0.242920035942E+04 -0.28841E-02 -0.25992E-03 2202 0.135E-01 0.393E-01
DAV: 17 -0.242920012029E+04 0.23913E-03 -0.18436E-03 1914 0.375E-02 0.326E-01
DAV: 18 -0.242919991670E+04 0.20359E-03 -0.24207E-05 1689 0.270E-02 0.336E-01
DAV: 19 -0.242919909707E+04 0.81963E-03 -0.21381E-03 3048 0.181E-01 0.420E-01
DAV: 20 -0.242919963135E+04 -0.53428E-03 -0.47827E-03 1986 0.704E-02 0.499E-01
DAV: 21 -0.242920003536E+04 -0.40401E-03 -0.33354E-04 2031 0.237E-02 0.537E-01
DAV: 22 -0.242919996559E+04 0.69776E-04 -0.16783E-05 1473 0.645E-03 0.529E-01
DAV: 23 -0.242919925611E+04 0.70948E-03 -0.14637E-04 1986 0.131E-02 0.514E-01
DAV: 24 -0.242919759850E+04 0.16576E-02 -0.45628E-04 2670 0.119E-01 0.553E-01
DAV: 25 -0.242919763792E+04 -0.39417E-04 -0.10643E-03 1923 0.244E-02 0.575E-01
DAV: 26 -0.242919795994E+04 -0.32202E-03 -0.55792E-05 2013 0.719E-03 0.597E-01
DAV: 27 -0.242919752855E+04 0.43139E-03 -0.50625E-05 1878 0.769E-03 0.562E-01
DAV: 28 -0.242919755461E+04 -0.26066E-04 -0.22670E-06 1023 0.177E-03 0.564E-01
DAV: 29 -0.242919731400E+04 0.24062E-03 -0.51476E-06 1338 0.420E-03 0.552E-01
DAV: 30 -0.242919761020E+04 -0.29621E-03 -0.18100E-04 2166 0.255E-02 0.596E-01
DAV: 31 -0.242919666476E+04 0.94544E-03 -0.21942E-04 1941 0.175E-02 0.534E-01
DAV: 32 -0.242919667136E+04 -0.65952E-05 -0.23197E-05 1419 0.521E-03
36 F= -.24291967E+04 E0= -.24292166E+04 d E =-.753145E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919664727E+04 0.17491E-04 -0.88157E-02 1704 0.357E-01 0.527E-01
DAV: 2 -0.242919240023E+04 0.42470E-02 -0.98704E-03 2013 0.120E-01 0.284E-01
DAV: 3 -0.242918445420E+04 0.79460E-02 -0.58995E-03 2598 0.156E-01 0.341E-01
DAV: 4 -0.242919039185E+04 -0.59377E-02 -0.36411E-03 2211 0.115E-01 0.298E-01
DAV: 5 -0.242919174622E+04 -0.13544E-02 -0.55138E-03 2445 0.857E-02 0.236E-01
DAV: 6 -0.242919391775E+04 -0.21715E-02 -0.20696E-03 2490 0.182E-01 0.186E-01
DAV: 7 -0.242919886988E+04 -0.49521E-02 -0.55155E-03 2427 0.219E-01 0.235E-01
DAV: 8 -0.242920294407E+04 -0.40742E-02 -0.88031E-03 2058 0.149E-01 0.319E-01
DAV: 9 -0.242920383069E+04 -0.88663E-03 -0.20837E-03 1968 0.519E-02 0.357E-01
DAV: 10 -0.242920372754E+04 0.10315E-03 -0.16464E-04 2040 0.149E-02 0.351E-01
DAV: 11 -0.242920165959E+04 0.20680E-02 -0.14291E-03 2787 0.157E-01 0.292E-01
DAV: 12 -0.242920027566E+04 0.13839E-02 -0.48554E-03 2112 0.116E-01 0.258E-01
DAV: 13 -0.242920041984E+04 -0.14418E-03 -0.19683E-03 1950 0.440E-02 0.251E-01
DAV: 14 -0.242920063857E+04 -0.21873E-03 -0.80529E-04 2580 0.512E-02 0.337E-01
DAV: 15 -0.242920060825E+04 0.30324E-04 -0.24827E-04 2391 0.284E-02 0.282E-01
DAV: 16 -0.242920061231E+04 -0.40643E-05 -0.25274E-04 2283 0.333E-02 0.338E-01
DAV: 17 -0.242920061227E+04 0.47527E-07 -0.10958E-04 2067 0.182E-02 0.307E-01
DAV: 18 -0.242920140612E+04 -0.79385E-03 -0.14655E-03 2076 0.646E-02 0.314E-01
DAV: 19 -0.242920191930E+04 -0.51318E-03 -0.70030E-04 2049 0.334E-02 0.354E-01
DAV: 20 -0.242920179417E+04 0.12513E-03 -0.14398E-04 2553 0.407E-02 0.342E-01
DAV: 21 -0.242919911774E+04 0.26764E-02 -0.12091E-03 2778 0.155E-01 0.285E-01
DAV: 22 -0.242919621581E+04 0.29019E-02 -0.37885E-03 2382 0.161E-01 0.291E-01
DAV: 23 -0.242919510629E+04 0.11095E-02 -0.13820E-02 2265 0.265E-01 0.640E-01
DAV: 24 -0.242919374786E+04 0.13584E-02 -0.11019E-02 2031 0.137E-01 0.798E-01
DAV: 25 -0.242919390081E+04 -0.15295E-03 -0.69304E-03 2076 0.142E-01 0.406E-01
DAV: 26 -0.242919504344E+04 -0.11426E-02 -0.42112E-03 2193 0.118E-01 0.241E-01
DAV: 27 -0.242919525053E+04 -0.20709E-03 -0.17220E-03 2022 0.525E-02 0.163E-01
DAV: 28 -0.242919541193E+04 -0.16140E-03 -0.24621E-04 2094 0.225E-02 0.132E-01
DAV: 29 -0.242919520945E+04 0.20248E-03 -0.35447E-05 2013 0.149E-02 0.143E-01
DAV: 30 -0.242919566387E+04 -0.45442E-03 -0.79338E-05 2067 0.310E-02 0.125E-01
DAV: 31 -0.242919632756E+04 -0.66368E-03 -0.39649E-04 2166 0.424E-02 0.145E-01
DAV: 32 -0.242919636588E+04 -0.38326E-04 -0.21452E-04 1905 0.144E-02 0.149E-01
DAV: 33 -0.242919637718E+04 -0.11299E-04 -0.26299E-06 1149 0.220E-03 0.149E-01
DAV: 34 -0.242919617892E+04 0.19826E-03 -0.13251E-05 1563 0.112E-02 0.139E-01
DAV: 35 -0.242919602656E+04 0.15236E-03 -0.12715E-04 1986 0.140E-02 0.127E-01
DAV: 36 -0.242919600154E+04 0.25024E-04 -0.36366E-05 1725 0.743E-03 0.125E-01
DAV: 37 -0.242919600808E+04 -0.65393E-05 -0.57027E-06 969 0.333E-03
37 F= -.24291960E+04 E0= -.24292116E+04 d E =-.898671E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919740818E+04 -0.14066E-02 -0.19620E-01 1704 0.530E-01 0.184E-01
DAV: 2 -0.242919682450E+04 0.58367E-03 -0.65778E-03 2112 0.107E-01 0.128E-01
DAV: 3 -0.242919597922E+04 0.84528E-03 -0.25363E-03 2076 0.634E-02 0.130E-01
DAV: 4 -0.242919539887E+04 0.58035E-03 -0.74541E-04 2076 0.382E-02 0.132E-01
DAV: 5 -0.242919637797E+04 -0.97910E-03 -0.29435E-04 2319 0.449E-02 0.108E-01
DAV: 6 -0.242919711546E+04 -0.73749E-03 -0.10768E-03 2445 0.758E-02 0.861E-02
DAV: 7 -0.242919735406E+04 -0.23860E-03 -0.14753E-03 2229 0.764E-02 0.632E-02
DAV: 8 -0.242919753523E+04 -0.18117E-03 -0.65274E-04 2373 0.661E-02 0.596E-02
DAV: 9 -0.242919798640E+04 -0.45116E-03 -0.38338E-04 2787 0.886E-02 0.719E-02
DAV: 10 -0.242919947962E+04 -0.14932E-02 -0.15765E-03 2283 0.137E-01 0.124E-01
DAV: 11 -0.242919854538E+04 0.93424E-03 -0.19268E-03 2085 0.838E-02 0.118E-01
DAV: 12 -0.242919876104E+04 -0.21566E-03 -0.15716E-04 1923 0.212E-02 0.120E-01
DAV: 13 -0.242919878842E+04 -0.27387E-04 -0.96604E-05 1959 0.934E-03 0.133E-01
DAV: 14 -0.242919798691E+04 0.80151E-03 -0.33378E-04 2715 0.656E-02 0.971E-02
DAV: 15 -0.242919682045E+04 0.11665E-02 -0.54564E-03 2625 0.193E-01 0.121E-01
DAV: 16 -0.242919725006E+04 -0.42961E-03 -0.47067E-03 1914 0.618E-02 0.183E-01
DAV: 17 -0.242919726090E+04 -0.10839E-04 -0.61707E-05 2067 0.718E-03 0.186E-01
DAV: 18 -0.242919725836E+04 0.25421E-05 -0.17980E-06 1131 0.148E-03
38 F= -.24291973E+04 E0= -.24292113E+04 d E =-.125028E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919724385E+04 0.17049E-04 -0.46883E-04 1779 0.260E-02 0.183E-01
DAV: 2 -0.242919665541E+04 0.58844E-03 -0.14728E-03 1986 0.423E-02 0.808E-02
DAV: 3 -0.242919624843E+04 0.40697E-03 -0.54939E-04 2373 0.400E-02 0.723E-02
DAV: 4 -0.242919610715E+04 0.14129E-03 -0.22641E-04 1995 0.172E-02 0.728E-02
DAV: 5 -0.242919673228E+04 -0.62513E-03 -0.29687E-04 2490 0.661E-02 0.710E-02
DAV: 6 -0.242919709451E+04 -0.36223E-03 -0.10335E-03 2301 0.586E-02 0.720E-02
DAV: 7 -0.242919736511E+04 -0.27060E-03 -0.58430E-04 2085 0.437E-02 0.736E-02
DAV: 8 -0.242919742248E+04 -0.57371E-04 -0.20214E-04 1959 0.149E-02 0.719E-02
DAV: 9 -0.242919774436E+04 -0.32188E-03 -0.12470E-04 2193 0.413E-02 0.820E-02
DAV: 10 -0.242919635315E+04 0.13912E-02 -0.95325E-04 2607 0.162E-01 0.103E-01
DAV: 11 -0.242920017158E+04 -0.38184E-02 -0.27092E-03 2634 0.369E-01 0.156E-01
DAV: 12 -0.242920210626E+04 -0.19347E-02 -0.79552E-03 2022 0.849E-02 0.216E-01
DAV: 13 -0.242920095561E+04 0.11506E-02 -0.91478E-04 2031 0.548E-02 0.178E-01
DAV: 14 -0.242919720583E+04 0.37498E-02 -0.35195E-03 2535 0.236E-01 0.103E-01
DAV: 15 -0.242919786176E+04 -0.65592E-03 -0.35380E-03 1923 0.502E-02 0.917E-02
DAV: 16 -0.242919772712E+04 0.13463E-03 -0.14567E-04 2103 0.182E-02 0.770E-02
DAV: 17 -0.242919708022E+04 0.64690E-03 -0.39153E-04 2508 0.783E-02 0.656E-02
DAV: 18 -0.242919654798E+04 0.53224E-03 -0.83910E-04 2175 0.717E-02 0.818E-02
DAV: 19 -0.242919570961E+04 0.83837E-03 -0.78320E-04 2247 0.772E-02 0.130E-01
DAV: 20 -0.242919597953E+04 -0.26992E-03 -0.86206E-04 1923 0.303E-02 0.943E-02
DAV: 21 -0.242919581453E+04 0.16500E-03 -0.16647E-05 1473 0.119E-02 0.109E-01
DAV: 22 -0.242919579867E+04 0.15861E-04 -0.12298E-05 1500 0.317E-03 0.110E-01
DAV: 23 -0.242919582409E+04 -0.25416E-04 -0.14129E-06 1014 0.206E-03 0.107E-01
DAV: 24 -0.242919585270E+04 -0.28612E-04 -0.11819E-06 978 0.267E-03 0.106E-01
DAV: 25 -0.242919590210E+04 -0.49402E-04 -0.15233E-05 1275 0.580E-03 0.110E-01
DAV: 26 -0.242919596286E+04 -0.60755E-04 -0.15567E-06 1311 0.481E-03 0.106E-01
DAV: 27 -0.242919625522E+04 -0.29237E-03 -0.42271E-05 2022 0.248E-02 0.975E-02
DAV: 28 -0.242919635888E+04 -0.10366E-03 -0.10240E-04 1977 0.121E-02 0.102E-01
DAV: 29 -0.242919648405E+04 -0.12517E-03 -0.29223E-06 1482 0.123E-02 0.916E-02
DAV: 30 -0.242919676114E+04 -0.27709E-03 -0.11100E-04 2193 0.328E-02 0.625E-02
DAV: 31 -0.242919700662E+04 -0.24549E-03 -0.18149E-04 2157 0.350E-02 0.541E-02
DAV: 32 -0.242919712395E+04 -0.11732E-03 -0.26233E-04 2013 0.216E-02 0.682E-02
DAV: 33 -0.242919714397E+04 -0.20026E-04 -0.29933E-05 1428 0.606E-03 0.702E-02
DAV: 34 -0.242919714285E+04 0.11236E-05 -0.14447E-06 1005 0.129E-03
39 F= -.24291971E+04 E0= -.24292093E+04 d E =-.113477E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919794840E+04 -0.80443E-03 -0.11920E-01 1704 0.421E-01 0.117E-01
DAV: 2 -0.242919798261E+04 -0.34206E-04 -0.29646E-03 2058 0.690E-02 0.657E-02
DAV: 3 -0.242919782070E+04 0.16191E-03 -0.51774E-04 2022 0.350E-02 0.462E-02
DAV: 4 -0.242919761620E+04 0.20449E-03 -0.58129E-05 2067 0.287E-02 0.448E-02
DAV: 5 -0.242919764839E+04 -0.32187E-04 -0.12791E-04 1914 0.118E-02 0.425E-02
DAV: 6 -0.242919768227E+04 -0.33876E-04 -0.30670E-06 1311 0.695E-03 0.404E-02
DAV: 7 -0.242919818215E+04 -0.49988E-03 -0.15729E-03 2400 0.747E-02 0.128E-01
DAV: 8 -0.242919824608E+04 -0.63928E-04 -0.59794E-04 1887 0.252E-02 0.156E-01
DAV: 9 -0.242919824339E+04 0.26888E-05 -0.44939E-06 1374 0.238E-03
40 F= -.24291982E+04 E0= -.24292109E+04 d E =-.110054E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919843425E+04 -0.18817E-03 -0.29987E-02 1716 0.211E-01 0.155E-01
DAV: 2 -0.242919802467E+04 0.40958E-03 -0.16084E-03 2373 0.690E-02 0.917E-02
DAV: 3 -0.242919783516E+04 0.18952E-03 -0.10403E-03 2022 0.509E-02 0.557E-02
DAV: 4 -0.242919759303E+04 0.24213E-03 -0.22300E-04 2040 0.301E-02 0.556E-02
DAV: 5 -0.242919768350E+04 -0.90470E-04 -0.10897E-04 1941 0.133E-02 0.486E-02
DAV: 6 -0.242919809920E+04 -0.41570E-03 -0.48604E-04 2787 0.732E-02 0.516E-02
DAV: 7 -0.242919840828E+04 -0.30907E-03 -0.13240E-03 2031 0.536E-02 0.766E-02
DAV: 8 -0.242919854353E+04 -0.13525E-03 -0.29323E-04 2166 0.294E-02 0.871E-02
DAV: 9 -0.242919859201E+04 -0.48483E-04 -0.74168E-05 1959 0.119E-02 0.946E-02
DAV: 10 -0.242919854018E+04 0.51832E-04 -0.15579E-05 1572 0.111E-02 0.101E-01
DAV: 11 -0.242919878398E+04 -0.24380E-03 -0.39935E-05 2094 0.431E-02 0.101E-01
DAV: 12 -0.242919842795E+04 0.35604E-03 -0.58926E-05 2184 0.576E-02 0.904E-02
DAV: 13 -0.242919837707E+04 0.50878E-04 -0.14517E-04 1950 0.132E-02 0.863E-02
DAV: 14 -0.242919702576E+04 0.13513E-02 -0.10534E-03 2976 0.153E-01 0.121E-01
DAV: 15 -0.242919833234E+04 -0.13066E-02 -0.99807E-04 2679 0.163E-01 0.390E-02
DAV: 16 -0.242919878540E+04 -0.45305E-03 -0.13397E-03 2454 0.742E-02 0.536E-02
DAV: 17 -0.242919949813E+04 -0.71273E-03 -0.91620E-04 2364 0.921E-02 0.799E-02
DAV: 18 -0.242919996071E+04 -0.46258E-03 -0.13411E-03 2040 0.472E-02 0.118E-01
DAV: 19 -0.242919999892E+04 -0.38210E-04 -0.14438E-04 1959 0.115E-02 0.128E-01
DAV: 20 -0.242919994367E+04 0.55248E-04 -0.68128E-07 1104 0.414E-03 0.126E-01
DAV: 21 -0.242919985121E+04 0.92463E-04 -0.41092E-06 1356 0.750E-03 0.123E-01
DAV: 22 -0.242919972647E+04 0.12474E-03 -0.18275E-05 1626 0.113E-02 0.117E-01
DAV: 23 -0.242919907630E+04 0.65017E-03 -0.17180E-04 2607 0.620E-02 0.963E-02
DAV: 24 -0.242919850161E+04 0.57469E-03 -0.86825E-04 2391 0.814E-02 0.735E-02
DAV: 25 -0.242919819676E+04 0.30485E-03 -0.13255E-03 2346 0.763E-02 0.487E-02
DAV: 26 -0.242919825460E+04 -0.57838E-04 -0.75946E-04 1932 0.279E-02 0.370E-02
DAV: 27 -0.242919818962E+04 0.64978E-04 -0.64756E-06 1536 0.132E-02 0.391E-02
DAV: 28 -0.242919817445E+04 0.15173E-04 -0.27684E-05 1698 0.555E-03 0.381E-02
DAV: 29 -0.242919817498E+04 -0.53029E-06 -0.36530E-06 1032 0.209E-03
41 F= -.24291982E+04 E0= -.24292109E+04 d E =-.103213E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919778818E+04 0.38627E-03 -0.11981E-01 1704 0.423E-01 0.110E-01
DAV: 2 -0.242919794142E+04 -0.15324E-03 -0.29808E-03 2049 0.635E-02 0.577E-02
DAV: 3 -0.242919781923E+04 0.12218E-03 -0.24849E-04 2121 0.243E-02 0.431E-02
DAV: 4 -0.242919769358E+04 0.12565E-03 -0.18207E-04 2103 0.225E-02 0.440E-02
DAV: 5 -0.242919760857E+04 0.85017E-04 -0.10177E-04 2094 0.156E-02 0.445E-02
DAV: 6 -0.242919773582E+04 -0.12726E-03 -0.46590E-05 2049 0.160E-02 0.449E-02
DAV: 7 -0.242919796515E+04 -0.22933E-03 -0.25343E-04 2499 0.497E-02 0.483E-02
DAV: 8 -0.242919814125E+04 -0.17610E-03 -0.59313E-04 2337 0.581E-02 0.501E-02
DAV: 9 -0.242919821128E+04 -0.70033E-04 -0.48969E-04 1932 0.217E-02 0.436E-02
DAV: 10 -0.242919821281E+04 -0.15363E-05 -0.65487E-06 1401 0.263E-03
42 F= -.24291982E+04 E0= -.24292097E+04 d E =-.106997E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919833888E+04 -0.12761E-03 -0.55640E-02 1704 0.288E-01 0.757E-02
DAV: 2 -0.242919833857E+04 0.31681E-06 -0.16345E-03 2067 0.490E-02 0.500E-02
DAV: 3 -0.242919826571E+04 0.72858E-04 -0.46448E-04 2040 0.228E-02 0.369E-02
DAV: 4 -0.242919819000E+04 0.75705E-04 -0.12690E-04 2049 0.181E-02 0.278E-02
DAV: 5 -0.242919807880E+04 0.11121E-03 -0.48159E-05 2049 0.217E-02 0.277E-02
DAV: 6 -0.242919817887E+04 -0.10007E-03 -0.49965E-05 2049 0.188E-02 0.268E-02
DAV: 7 -0.242919818854E+04 -0.96722E-05 -0.37723E-05 1725 0.620E-03
43 F= -.24291982E+04 E0= -.24292111E+04 d E =-.104569E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919939301E+04 -0.12141E-02 -0.12407E-01 1704 0.424E-01 0.124E-01
DAV: 2 -0.242919959558E+04 -0.20257E-03 -0.44529E-03 2040 0.720E-02 0.851E-02
DAV: 3 -0.242919942481E+04 0.17076E-03 -0.92500E-04 2265 0.312E-02 0.545E-02
DAV: 4 -0.242919927821E+04 0.14660E-03 -0.34759E-04 2148 0.265E-02 0.456E-02
DAV: 5 -0.242919901987E+04 0.25834E-03 -0.12913E-04 2301 0.344E-02 0.453E-02
DAV: 6 -0.242919937208E+04 -0.35222E-03 -0.17617E-04 2445 0.469E-02 0.346E-02
DAV: 7 -0.242919969072E+04 -0.31864E-03 -0.61688E-04 2463 0.622E-02 0.348E-02
DAV: 8 -0.242920037505E+04 -0.68433E-03 -0.10439E-03 2436 0.105E-01 0.657E-02
DAV: 9 -0.242919980424E+04 0.57081E-03 -0.10615E-03 2157 0.859E-02 0.804E-02
DAV: 10 -0.242919964202E+04 0.16222E-03 -0.58774E-04 2112 0.331E-02 0.555E-02
DAV: 11 -0.242919955022E+04 0.91809E-04 -0.23789E-04 2139 0.261E-02 0.428E-02
DAV: 12 -0.242919920541E+04 0.34480E-03 -0.13608E-04 2526 0.537E-02 0.547E-02
DAV: 13 -0.242919878564E+04 0.41977E-03 -0.60831E-04 2301 0.568E-02 0.686E-02
DAV: 14 -0.242919908790E+04 -0.30226E-03 -0.34577E-04 2085 0.345E-02 0.594E-02
DAV: 15 -0.242919928625E+04 -0.19835E-03 -0.17939E-04 2328 0.337E-02 0.467E-02
DAV: 16 -0.242919966846E+04 -0.38220E-03 -0.42882E-04 2724 0.804E-02 0.330E-02
DAV: 17 -0.242920012975E+04 -0.46130E-03 -0.14020E-03 2382 0.728E-02 0.645E-02
DAV: 18 -0.242920037474E+04 -0.24498E-03 -0.70638E-04 2031 0.354E-02 0.929E-02
DAV: 19 -0.242920039462E+04 -0.19883E-04 -0.51036E-05 1698 0.706E-03 0.973E-02
DAV: 20 -0.242920038947E+04 0.51485E-05 -0.15506E-06 1032 0.140E-03
44 F= -.24292004E+04 E0= -.24292104E+04 d E =-.220093E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920043108E+04 -0.36457E-04 -0.13791E-03 1770 0.445E-02 0.973E-02
DAV: 2 -0.242920002826E+04 0.40282E-03 -0.90436E-04 2661 0.558E-02 0.557E-02
DAV: 3 -0.242919987921E+04 0.14905E-03 -0.10478E-03 2067 0.397E-02 0.536E-02
DAV: 4 -0.242919974379E+04 0.13542E-03 -0.34817E-04 2220 0.251E-02 0.312E-02
DAV: 5 -0.242919958533E+04 0.15846E-03 -0.73333E-05 2013 0.244E-02 0.289E-02
DAV: 6 -0.242919930073E+04 0.28459E-03 -0.12490E-04 2373 0.418E-02 0.360E-02
DAV: 7 -0.242920043187E+04 -0.11311E-02 -0.10222E-03 2877 0.180E-01 0.487E-02
DAV: 8 -0.242919999497E+04 0.43691E-03 -0.43674E-04 2229 0.743E-02 0.457E-02
DAV: 9 -0.242919960726E+04 0.38770E-03 -0.51696E-04 2913 0.675E-02 0.353E-02
DAV: 10 -0.242919862471E+04 0.98255E-03 -0.17768E-03 2715 0.134E-01 0.891E-02
DAV: 11 -0.242920174288E+04 -0.31182E-02 -0.56568E-03 3012 0.405E-01 0.964E-02
DAV: 12 -0.242920123044E+04 0.51244E-03 -0.42102E-03 2004 0.942E-02 0.115E-01
DAV: 13 -0.242920163574E+04 -0.40530E-03 -0.72007E-04 1869 0.336E-02 0.115E-01
DAV: 14 -0.242920144554E+04 0.19020E-03 -0.69302E-05 2049 0.152E-02 0.119E-01
DAV: 15 -0.242920200145E+04 -0.55592E-03 -0.46661E-05 2112 0.371E-02 0.128E-01
DAV: 16 -0.242920183830E+04 0.16316E-03 -0.10136E-04 1968 0.164E-02 0.112E-01
DAV: 17 -0.242920036097E+04 0.14773E-02 -0.15360E-03 3021 0.137E-01 0.882E-02
DAV: 18 -0.242920054456E+04 -0.18360E-03 -0.26954E-03 1950 0.479E-02 0.127E-01
DAV: 19 -0.242919994046E+04 0.60410E-03 -0.58473E-04 3012 0.102E-01 0.135E-01
DAV: 20 -0.242919984732E+04 0.93141E-04 -0.10369E-03 2022 0.384E-02 0.141E-01
DAV: 21 -0.242919929534E+04 0.55198E-03 -0.28212E-04 2598 0.775E-02 0.150E-01
DAV: 22 -0.242919874525E+04 0.55009E-03 -0.10875E-03 2031 0.587E-02 0.167E-01
DAV: 23 -0.242919867857E+04 0.66676E-04 -0.61325E-04 1995 0.267E-02 0.196E-01
DAV: 24 -0.242919876063E+04 -0.82056E-04 -0.51973E-06 1419 0.758E-03 0.194E-01
DAV: 25 -0.242919949922E+04 -0.73859E-03 -0.48526E-04 2805 0.936E-02 0.182E-01
DAV: 26 -0.242919948893E+04 0.10285E-04 -0.10762E-03 1914 0.267E-02 0.132E-01
DAV: 27 -0.242919962795E+04 -0.13901E-03 -0.22635E-04 2652 0.504E-02 0.110E-01
DAV: 28 -0.242919965695E+04 -0.29005E-04 -0.44369E-04 1986 0.213E-02 0.839E-02
DAV: 29 -0.242919973162E+04 -0.74671E-04 -0.14642E-05 1698 0.173E-02 0.786E-02
DAV: 30 -0.242919974285E+04 -0.11225E-04 -0.58469E-05 1887 0.774E-03 0.697E-02
DAV: 31 -0.242919981392E+04 -0.71074E-04 -0.33096E-06 1509 0.138E-02 0.689E-02
DAV: 32 -0.242919990842E+04 -0.94501E-04 -0.68183E-05 1986 0.201E-02 0.660E-02
DAV: 33 -0.242920012359E+04 -0.21517E-03 -0.78347E-05 2211 0.371E-02 0.693E-02
DAV: 34 -0.242920028694E+04 -0.16334E-03 -0.30854E-04 2031 0.280E-02 0.660E-02
DAV: 35 -0.242920031519E+04 -0.28259E-04 -0.80957E-05 1887 0.929E-03 0.602E-02
DAV: 36 -0.242920040367E+04 -0.88478E-04 -0.35320E-06 1491 0.110E-02 0.628E-02
DAV: 37 -0.242920042927E+04 -0.25596E-04 -0.15857E-05 1473 0.413E-03 0.641E-02
DAV: 38 -0.242920043055E+04 -0.12782E-05 -0.20686E-06 996 0.150E-03
45 F= -.24292004E+04 E0= -.24292104E+04 d E =-.224200E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920054289E+04 -0.11362E-03 -0.55173E-03 1725 0.886E-02 0.674E-02
DAV: 2 -0.242920026263E+04 0.28026E-03 -0.24524E-04 2310 0.337E-02 0.421E-02
DAV: 3 -0.242919995275E+04 0.30987E-03 -0.34542E-04 2283 0.449E-02 0.387E-02
DAV: 4 -0.242919979315E+04 0.15960E-03 -0.45779E-04 2067 0.338E-02 0.327E-02
DAV: 5 -0.242919952965E+04 0.26350E-03 -0.39037E-05 2058 0.388E-02 0.321E-02
DAV: 6 -0.242919982899E+04 -0.29934E-03 -0.12264E-04 2229 0.418E-02 0.367E-02
DAV: 7 -0.242919979690E+04 0.32089E-04 -0.61681E-05 1887 0.714E-03 0.285E-02
DAV: 8 -0.242920123063E+04 -0.14337E-02 -0.15345E-03 2922 0.192E-01 0.756E-02
DAV: 9 -0.242920047788E+04 0.75275E-03 -0.90198E-04 2202 0.903E-02 0.661E-02
DAV: 10 -0.242919972753E+04 0.75036E-03 -0.14287E-03 3030 0.115E-01 0.395E-02
DAV: 11 -0.242919925832E+04 0.46920E-03 -0.21733E-03 2427 0.976E-02 0.732E-02
DAV: 12 -0.242919770597E+04 0.15523E-02 -0.16403E-03 2481 0.131E-01 0.153E-01
DAV: 13 -0.242919960624E+04 -0.19003E-02 -0.37922E-03 2652 0.229E-01 0.882E-02
DAV: 14 -0.242919994900E+04 -0.34276E-03 -0.29377E-03 1941 0.377E-02 0.439E-02
DAV: 15 -0.242919995552E+04 -0.65219E-05 -0.56012E-05 2049 0.663E-03
46 F= -.24292000E+04 E0= -.24292113E+04 d E =-.176698E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242919996423E+04 -0.15230E-04 -0.22052E-02 1734 0.177E-01 0.658E-02
DAV: 2 -0.242919979600E+04 0.16823E-03 -0.58600E-04 2094 0.379E-02 0.448E-02
DAV: 3 -0.242919959142E+04 0.20457E-03 -0.25993E-04 2076 0.320E-02 0.406E-02
DAV: 4 -0.242919947585E+04 0.11557E-03 -0.18758E-04 2049 0.213E-02 0.420E-02
DAV: 5 -0.242919949120E+04 -0.15343E-04 -0.27933E-05 1554 0.550E-03 0.435E-02
DAV: 6 -0.242919962590E+04 -0.13470E-03 -0.71753E-06 1545 0.183E-02 0.427E-02
DAV: 7 -0.242920032352E+04 -0.69762E-03 -0.69179E-04 2769 0.110E-01 0.498E-02
DAV: 8 -0.242919938972E+04 0.93380E-03 -0.59728E-04 2679 0.131E-01 0.514E-02
DAV: 9 -0.242919965168E+04 -0.26197E-03 -0.96722E-05 1959 0.310E-02 0.424E-02
DAV: 10 -0.242919962316E+04 0.28527E-04 -0.33671E-04 1851 0.206E-02 0.637E-02
DAV: 11 -0.242920103094E+04 -0.14078E-02 -0.14928E-03 2895 0.180E-01 0.899E-02
DAV: 12 -0.242920329009E+04 -0.22591E-02 -0.55500E-03 2301 0.149E-01 0.178E-01
DAV: 13 -0.242920315219E+04 0.13790E-03 -0.28288E-03 1923 0.521E-02 0.207E-01
DAV: 14 -0.242920336712E+04 -0.21493E-03 -0.52417E-05 1869 0.134E-02 0.206E-01
DAV: 15 -0.242920371051E+04 -0.34339E-03 -0.20711E-05 1644 0.174E-02 0.213E-01
DAV: 16 -0.242920307934E+04 0.63117E-03 -0.34226E-05 1887 0.273E-02 0.200E-01
DAV: 17 -0.242920180107E+04 0.12783E-02 -0.68758E-04 2562 0.689E-02 0.151E-01
DAV: 18 -0.242920042354E+04 0.13775E-02 -0.15311E-03 2571 0.115E-01 0.973E-02
DAV: 19 -0.242920027917E+04 0.14437E-03 -0.24051E-03 2040 0.607E-02 0.597E-02
DAV: 20 -0.242920022268E+04 0.56489E-04 -0.21724E-04 2022 0.186E-02 0.590E-02
DAV: 21 -0.242920018872E+04 0.33963E-04 -0.28307E-05 1797 0.728E-03 0.585E-02
DAV: 22 -0.242920019737E+04 -0.86449E-05 -0.34635E-06 1077 0.261E-03
47 F= -.24292002E+04 E0= -.24292112E+04 d E =-.200882E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920097983E+04 -0.79111E-03 -0.11647E-01 1704 0.413E-01 0.124E-01
DAV: 2 -0.242920080537E+04 0.17446E-03 -0.33715E-03 2085 0.757E-02 0.728E-02
DAV: 3 -0.242920050797E+04 0.29740E-03 -0.11051E-03 2040 0.446E-02 0.640E-02
DAV: 4 -0.242920024422E+04 0.26374E-03 -0.40555E-04 2202 0.326E-02 0.559E-02
DAV: 5 -0.242920015214E+04 0.92082E-04 -0.14919E-04 2022 0.154E-02 0.581E-02
DAV: 6 -0.242920021008E+04 -0.57938E-04 -0.19772E-05 1536 0.573E-03 0.615E-02
DAV: 7 -0.242920099775E+04 -0.78767E-03 -0.28485E-04 2463 0.800E-02 0.836E-02
DAV: 8 -0.242920227237E+04 -0.12746E-02 -0.19633E-03 2409 0.138E-01 0.111E-01
DAV: 9 -0.242920137237E+04 0.90000E-03 -0.13343E-03 2076 0.929E-02 0.720E-02
DAV: 10 -0.242920029013E+04 0.10822E-02 -0.18503E-03 2850 0.125E-01 0.910E-02
DAV: 11 -0.242919874787E+04 0.15423E-02 -0.37854E-03 2409 0.140E-01 0.165E-01
DAV: 12 -0.242920022229E+04 -0.14744E-02 -0.17609E-03 2337 0.111E-01 0.129E-01
DAV: 13 -0.242920071747E+04 -0.49517E-03 -0.25210E-03 2652 0.901E-02 0.618E-02
DAV: 14 -0.242920056982E+04 0.14764E-03 -0.66693E-04 2022 0.334E-02 0.558E-02
DAV: 15 -0.242920114903E+04 -0.57921E-03 -0.81530E-05 2490 0.665E-02 0.535E-02
DAV: 16 -0.242920183755E+04 -0.68851E-03 -0.10088E-03 2310 0.734E-02 0.770E-02
DAV: 17 -0.242920214320E+04 -0.30566E-03 -0.99415E-04 2022 0.352E-02 0.108E-01
DAV: 18 -0.242920213569E+04 0.75099E-05 -0.47052E-05 1680 0.667E-03
48 F= -.24292021E+04 E0= -.24292119E+04 d E =-.193833E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920229751E+04 -0.15431E-03 -0.88335E-04 1914 0.370E-02 0.112E-01
DAV: 2 -0.242920151958E+04 0.77793E-03 -0.12516E-03 2823 0.700E-02 0.708E-02
DAV: 3 -0.242920117941E+04 0.34017E-03 -0.17925E-03 2094 0.525E-02 0.706E-02
DAV: 4 -0.242920081461E+04 0.36479E-03 -0.54720E-04 2346 0.432E-02 0.480E-02
DAV: 5 -0.242920047833E+04 0.33628E-03 -0.22422E-04 2013 0.373E-02 0.472E-02
DAV: 6 -0.242920095241E+04 -0.47408E-03 -0.22921E-04 2157 0.475E-02 0.504E-02
DAV: 7 -0.242920394978E+04 -0.29974E-02 -0.35428E-03 2832 0.261E-01 0.110E-01
DAV: 8 -0.242920033753E+04 0.36123E-02 -0.33589E-03 2823 0.298E-01 0.644E-02
DAV: 9 -0.242919990117E+04 0.43636E-03 -0.32036E-03 2058 0.666E-02 0.723E-02
DAV: 10 -0.242920283675E+04 -0.29356E-02 -0.22543E-03 2733 0.306E-01 0.847E-02
DAV: 11 -0.242920747760E+04 -0.46409E-02 -0.13048E-02 2301 0.208E-01 0.196E-01
DAV: 12 -0.242919982590E+04 0.76517E-02 -0.11341E-02 2589 0.416E-01 0.114E-01
DAV: 13 -0.242919189841E+04 0.79275E-02 -0.22072E-02 2490 0.328E-01 0.354E-01
DAV: 14 -0.242919852839E+04 -0.66300E-02 -0.10602E-02 2157 0.181E-01 0.120E-01
DAV: 15 -0.242919333682E+04 0.51916E-02 -0.78677E-04 2238 0.165E-01 0.319E-01
DAV: 16 -0.242919787830E+04 -0.45415E-02 -0.21794E-03 2157 0.132E-01 0.146E-01
DAV: 17 -0.242919706228E+04 0.81602E-03 -0.29647E-04 1959 0.410E-02 0.198E-01
DAV: 18 -0.242919740938E+04 -0.34710E-03 -0.13197E-04 1842 0.156E-02 0.180E-01
DAV: 19 -0.242919881391E+04 -0.14045E-02 -0.35393E-04 2598 0.640E-02 0.114E-01
DAV: 20 -0.242919857475E+04 0.23916E-03 -0.25056E-04 1950 0.205E-02 0.136E-01
DAV: 21 -0.242920002864E+04 -0.14539E-02 -0.44995E-04 2652 0.103E-01 0.647E-02
DAV: 22 -0.242920081936E+04 -0.79072E-03 -0.15894E-03 2274 0.824E-02 0.600E-02
DAV: 23 -0.242920104649E+04 -0.22713E-03 -0.10572E-03 1977 0.333E-02 0.781E-02
DAV: 24 -0.242920086779E+04 0.17870E-03 -0.16618E-05 1680 0.195E-02 0.801E-02
DAV: 25 -0.242920013613E+04 0.73166E-03 -0.35676E-04 2562 0.723E-02 0.872E-02
DAV: 26 -0.242920014478E+04 -0.86528E-05 -0.62087E-04 1923 0.213E-02 0.754E-02
DAV: 27 -0.242920012053E+04 0.24252E-04 -0.80162E-06 1491 0.373E-03 0.761E-02
DAV: 28 -0.242920012833E+04 -0.78009E-05 -0.22632E-06 1059 0.167E-03
49 F= -.24292001E+04 E0= -.24292143E+04 d E =0.690352E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920085836E+04 -0.73783E-03 -0.13305E-01 1704 0.434E-01 0.156E-01
DAV: 2 -0.242920086452E+04 -0.61664E-05 -0.61149E-03 2085 0.812E-02 0.106E-01
DAV: 3 -0.242920049495E+04 0.36958E-03 -0.20352E-03 2184 0.399E-02 0.877E-02
DAV: 4 -0.242920011711E+04 0.37784E-03 -0.38224E-04 2058 0.307E-02 0.872E-02
DAV: 5 -0.242920080402E+04 -0.68692E-03 -0.22676E-04 2427 0.547E-02 0.647E-02
DAV: 6 -0.242920114883E+04 -0.34480E-03 -0.79267E-04 2328 0.527E-02 0.519E-02
DAV: 7 -0.242920161356E+04 -0.46474E-03 -0.65779E-04 2427 0.797E-02 0.517E-02
DAV: 8 -0.242920252850E+04 -0.91493E-03 -0.92646E-04 2391 0.120E-01 0.807E-02
DAV: 9 -0.242920211653E+04 0.41197E-03 -0.16342E-03 2049 0.671E-02 0.999E-02
DAV: 10 -0.242920163925E+04 0.47728E-03 -0.51537E-04 2571 0.587E-02 0.808E-02
DAV: 11 -0.242920121017E+04 0.42908E-03 -0.82524E-04 2418 0.670E-02 0.627E-02
DAV: 12 -0.242919987582E+04 0.13344E-02 -0.74063E-04 2571 0.127E-01 0.116E-01
DAV: 13 -0.242920117351E+04 -0.12977E-02 -0.10737E-03 2364 0.118E-01 0.429E-02
DAV: 14 -0.242920171529E+04 -0.54178E-03 -0.14030E-03 2544 0.832E-02 0.570E-02
DAV: 15 -0.242920218254E+04 -0.46724E-03 -0.10397E-03 2247 0.617E-02 0.864E-02
DAV: 16 -0.242920332175E+04 -0.11392E-02 -0.46901E-04 2796 0.110E-01 0.127E-01
DAV: 17 -0.242920351550E+04 -0.19375E-03 -0.16134E-03 1923 0.343E-02 0.169E-01
DAV: 18 -0.242920330987E+04 0.20563E-03 -0.16270E-05 1554 0.145E-02 0.167E-01
DAV: 19 -0.242920314795E+04 0.16192E-03 -0.46479E-05 1878 0.134E-02 0.159E-01
DAV: 20 -0.242920309526E+04 0.52681E-04 -0.29856E-05 1761 0.710E-03 0.152E-01
DAV: 21 -0.242920309123E+04 0.40388E-05 -0.18422E-06 969 0.144E-03
50 F= -.24292031E+04 E0= -.24292124E+04 d E =-.296290E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920310701E+04 -0.11742E-04 -0.70423E-05 1590 0.100E-02 0.153E-01
DAV: 2 -0.242920221424E+04 0.89277E-03 -0.23250E-03 2706 0.840E-02 0.837E-02
DAV: 3 -0.242920200464E+04 0.20959E-03 -0.26914E-03 2031 0.545E-02 0.787E-02
DAV: 4 -0.242920177556E+04 0.22908E-03 -0.73116E-04 2121 0.330E-02 0.378E-02
DAV: 5 -0.242920152788E+04 0.24768E-03 -0.17195E-04 2076 0.337E-02 0.317E-02
DAV: 6 -0.242920100633E+04 0.52155E-03 -0.25560E-04 2580 0.681E-02 0.444E-02
DAV: 7 -0.242920219049E+04 -0.11842E-02 -0.74443E-04 2760 0.167E-01 0.460E-02
DAV: 8 -0.242920166374E+04 0.52675E-03 -0.18095E-04 2517 0.809E-02 0.388E-02
DAV: 9 -0.242920013670E+04 0.15270E-02 -0.19485E-03 3039 0.172E-01 0.925E-02
DAV: 10 -0.242920411330E+04 -0.39766E-02 -0.48955E-03 3021 0.426E-01 0.103E-01
DAV: 11 -0.242920655246E+04 -0.24392E-02 -0.11614E-02 2004 0.103E-01 0.202E-01
DAV: 12 -0.242920970458E+04 -0.31521E-02 -0.11521E-03 2715 0.116E-01 0.256E-01
DAV: 13 -0.242921183441E+04 -0.21298E-02 -0.35753E-03 2040 0.733E-02 0.343E-01
DAV: 14 -0.242921167715E+04 0.15725E-03 -0.36541E-04 1932 0.189E-02 0.349E-01
DAV: 15 -0.242920921151E+04 0.24656E-02 -0.26576E-04 2517 0.677E-02 0.325E-01
DAV: 16 -0.242920961210E+04 -0.40060E-03 -0.24660E-04 1878 0.153E-02 0.314E-01
DAV: 17 -0.242920728109E+04 0.23310E-02 -0.36956E-04 2625 0.728E-02 0.285E-01
DAV: 18 -0.242920562058E+04 0.16605E-02 -0.94769E-04 2319 0.692E-02 0.252E-01
DAV: 19 -0.242920601622E+04 -0.39564E-03 -0.52826E-04 1941 0.234E-02 0.240E-01
DAV: 20 -0.242920515311E+04 0.86311E-03 -0.86510E-05 2148 0.441E-02 0.250E-01
DAV: 21 -0.242920569019E+04 -0.53707E-03 -0.26915E-05 1770 0.217E-02 0.258E-01
DAV: 22 -0.242920453680E+04 0.11534E-02 -0.14550E-04 2535 0.499E-02 0.239E-01
DAV: 23 -0.242920270619E+04 0.18306E-02 -0.14994E-03 2427 0.109E-01 0.195E-01
DAV: 24 -0.242920298799E+04 -0.28180E-03 -0.11886E-03 1923 0.308E-02 0.163E-01
DAV: 25 -0.242920270742E+04 0.28057E-03 -0.25893E-05 1770 0.258E-02 0.161E-01
DAV: 26 -0.242920250688E+04 0.20053E-03 -0.11569E-04 2058 0.208E-02 0.146E-01
DAV: 27 -0.242920222081E+04 0.28607E-03 -0.92139E-05 2238 0.301E-02 0.134E-01
DAV: 28 -0.242920209095E+04 0.12987E-03 -0.20537E-04 2022 0.216E-02 0.113E-01
DAV: 29 -0.242920205192E+04 0.39027E-04 -0.40239E-05 1644 0.751E-03 0.103E-01
DAV: 30 -0.242920183267E+04 0.21925E-03 -0.44487E-05 2094 0.250E-02 0.933E-02
DAV: 31 -0.242920148312E+04 0.34955E-03 -0.29516E-04 2400 0.469E-02 0.743E-02
DAV: 32 -0.242920143153E+04 0.51591E-04 -0.38697E-04 2004 0.220E-02 0.605E-02
DAV: 33 -0.242920128035E+04 0.15118E-03 -0.22198E-05 1860 0.217E-02 0.645E-02
DAV: 34 -0.242920124371E+04 0.36638E-04 -0.63135E-05 1950 0.881E-03 0.600E-02
DAV: 35 -0.242920099360E+04 0.25011E-03 -0.32417E-05 2004 0.317E-02 0.686E-02
DAV: 36 -0.242920108748E+04 -0.93886E-04 -0.41302E-05 1941 0.115E-02 0.618E-02
DAV: 37 -0.242920116106E+04 -0.73580E-04 -0.82110E-06 1527 0.107E-02 0.571E-02
DAV: 38 -0.242920110116E+04 0.59901E-04 -0.10194E-05 1491 0.799E-03 0.593E-02
DAV: 39 -0.242920105142E+04 0.49739E-04 -0.71384E-06 1437 0.636E-03 0.604E-02
DAV: 40 -0.242920144486E+04 -0.39344E-03 -0.88183E-05 2364 0.569E-02 0.471E-02
DAV: 41 -0.242920175056E+04 -0.30571E-03 -0.45318E-04 2310 0.473E-02 0.555E-02
DAV: 42 -0.242920186046E+04 -0.10990E-03 -0.33745E-04 2004 0.204E-02 0.695E-02
DAV: 43 -0.242920194982E+04 -0.89353E-04 -0.58508E-06 1554 0.123E-02 0.705E-02
DAV: 44 -0.242920195330E+04 -0.34856E-05 -0.26485E-05 1509 0.487E-03
51 F= -.24292020E+04 E0= -.24292126E+04 d E =-.182497E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920246079E+04 -0.51097E-03 -0.89265E-02 1704 0.363E-01 0.115E-01
DAV: 2 -0.242920230544E+04 0.15534E-03 -0.34748E-03 2193 0.727E-02 0.752E-02
DAV: 3 -0.242920216073E+04 0.14471E-03 -0.15005E-03 2022 0.372E-02 0.549E-02
DAV: 4 -0.242920198717E+04 0.17356E-03 -0.24799E-04 2076 0.266E-02 0.371E-02
DAV: 5 -0.242920172652E+04 0.26065E-03 -0.15623E-04 2238 0.355E-02 0.383E-02
DAV: 6 -0.242920197619E+04 -0.24967E-03 -0.12081E-04 2193 0.330E-02 0.354E-02
DAV: 7 -0.242920219420E+04 -0.21801E-03 -0.29016E-04 2346 0.388E-02 0.342E-02
DAV: 8 -0.242920296267E+04 -0.76848E-03 -0.97445E-04 2742 0.113E-01 0.641E-02
DAV: 9 -0.242920271434E+04 0.24833E-03 -0.98724E-04 2031 0.464E-02 0.857E-02
DAV: 10 -0.242920261689E+04 0.97450E-04 -0.29524E-04 2067 0.224E-02 0.538E-02
DAV: 11 -0.242920240566E+04 0.21123E-03 -0.17061E-04 2544 0.359E-02 0.425E-02
DAV: 12 -0.242920230532E+04 0.10035E-03 -0.47085E-04 2058 0.353E-02 0.611E-02
DAV: 13 -0.242920197584E+04 0.32948E-03 -0.30113E-04 2778 0.660E-02 0.942E-02
DAV: 14 -0.242919986276E+04 0.21131E-02 -0.32178E-03 2823 0.185E-01 0.208E-01
DAV: 15 -0.242920162481E+04 -0.17621E-02 -0.22418E-03 2598 0.146E-01 0.126E-01
DAV: 16 -0.242920183803E+04 -0.21322E-03 -0.14608E-03 2067 0.439E-02 0.864E-02
DAV: 17 -0.242920186858E+04 -0.30554E-04 -0.21585E-04 1968 0.154E-02 0.659E-02
DAV: 18 -0.242920185883E+04 0.97534E-05 -0.38454E-06 1185 0.260E-03
52 F= -.24292019E+04 E0= -.24292150E+04 d E =0.944765E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920204797E+04 -0.17939E-03 -0.15361E-01 1704 0.477E-01 0.118E-01
DAV: 2 -0.242920217708E+04 -0.12911E-03 -0.46406E-03 2067 0.738E-02 0.772E-02
DAV: 3 -0.242920197760E+04 0.19948E-03 -0.90051E-04 2184 0.307E-02 0.639E-02
DAV: 4 -0.242920178757E+04 0.19003E-03 -0.29915E-04 2112 0.264E-02 0.532E-02
DAV: 5 -0.242920167781E+04 0.10977E-03 -0.10010E-04 2022 0.157E-02 0.547E-02
DAV: 6 -0.242920191752E+04 -0.23971E-03 -0.58837E-05 2094 0.239E-02 0.534E-02
DAV: 7 -0.242920234531E+04 -0.42779E-03 -0.45922E-04 2535 0.661E-02 0.526E-02
DAV: 8 -0.242920301448E+04 -0.66917E-03 -0.12422E-03 2355 0.112E-01 0.660E-02
DAV: 9 -0.242920323781E+04 -0.22334E-03 -0.17125E-03 1932 0.372E-02 0.741E-02
DAV: 10 -0.242920327930E+04 -0.41489E-04 -0.52291E-05 2040 0.852E-03 0.740E-02
DAV: 11 -0.242920297591E+04 0.30340E-03 -0.42252E-04 2067 0.391E-02 0.990E-02
DAV: 12 -0.242920258642E+04 0.38949E-03 -0.36674E-04 2184 0.602E-02 0.134E-01
DAV: 13 -0.242920216985E+04 0.41657E-03 -0.61865E-04 2310 0.579E-02 0.138E-01
DAV: 14 -0.242920210068E+04 0.69167E-04 -0.50098E-04 2013 0.282E-02 0.124E-01
DAV: 15 -0.242920219326E+04 -0.92582E-04 -0.43265E-05 1941 0.136E-02 0.111E-01
DAV: 16 -0.242920226517E+04 -0.71908E-04 -0.20838E-05 1698 0.116E-02 0.105E-01
DAV: 17 -0.242920225347E+04 0.11703E-04 -0.16192E-05 1401 0.453E-03 0.111E-01
DAV: 18 -0.242920230561E+04 -0.52142E-04 -0.11272E-04 2013 0.146E-02 0.150E-01
DAV: 19 -0.242920251519E+04 -0.20958E-03 -0.24395E-04 2022 0.162E-02 0.198E-01
DAV: 20 -0.242920239355E+04 0.12164E-03 -0.39089E-05 1860 0.769E-03 0.184E-01
DAV: 21 -0.242920241573E+04 -0.22180E-04 -0.11249E-05 1545 0.787E-03 0.198E-01
DAV: 22 -0.242920243219E+04 -0.16454E-04 -0.73263E-05 1995 0.183E-02 0.229E-01
DAV: 23 -0.242920260391E+04 -0.17172E-03 -0.19047E-04 2256 0.586E-02 0.166E-01
DAV: 24 -0.242920274896E+04 -0.14505E-03 -0.30314E-04 2130 0.397E-02 0.135E-01
DAV: 25 -0.242920282406E+04 -0.75101E-04 -0.20339E-04 2004 0.235E-02 0.122E-01
DAV: 26 -0.242920302777E+04 -0.20372E-03 -0.44998E-05 2049 0.389E-02 0.106E-01
DAV: 27 -0.242920307726E+04 -0.49490E-04 -0.18061E-04 1941 0.118E-02 0.113E-01
DAV: 28 -0.242920315590E+04 -0.78635E-04 -0.20556E-06 1491 0.103E-02 0.113E-01
DAV: 29 -0.242920311172E+04 0.44181E-04 -0.28210E-06 1221 0.449E-03 0.112E-01
DAV: 30 -0.242920263371E+04 0.47801E-03 -0.12548E-04 2508 0.552E-02 0.103E-01
DAV: 31 -0.242920259815E+04 0.35552E-04 -0.43735E-04 1914 0.179E-02 0.777E-02
DAV: 32 -0.242920248206E+04 0.11610E-03 -0.63233E-06 1545 0.176E-02 0.832E-02
DAV: 33 -0.242920239706E+04 0.84995E-04 -0.47210E-05 1887 0.141E-02 0.858E-02
DAV: 34 -0.242920212019E+04 0.27687E-03 -0.46635E-05 2121 0.405E-02 0.106E-01
DAV: 35 -0.242920217072E+04 -0.50535E-04 -0.11778E-04 1878 0.100E-02 0.914E-02
DAV: 36 -0.242920216882E+04 0.19028E-05 -0.50677E-06 1149 0.223E-03
53 F= -.24292022E+04 E0= -.24292152E+04 d E =-.215517E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920281569E+04 -0.64497E-03 -0.10036E-01 1704 0.386E-01 0.133E-01
DAV: 2 -0.242920256745E+04 0.24824E-03 -0.29256E-03 2148 0.759E-02 0.894E-02
DAV: 3 -0.242920211426E+04 0.45319E-03 -0.11340E-03 2058 0.522E-02 0.876E-02
DAV: 4 -0.242920192021E+04 0.19405E-03 -0.33502E-04 2067 0.237E-02 0.851E-02
DAV: 5 -0.242920199665E+04 -0.76444E-04 -0.38488E-05 1680 0.700E-03 0.807E-02
DAV: 6 -0.242920270782E+04 -0.71117E-03 -0.80129E-04 2760 0.692E-02 0.723E-02
DAV: 7 -0.242920317483E+04 -0.46701E-03 -0.12404E-03 2265 0.663E-02 0.689E-02
DAV: 8 -0.242920368429E+04 -0.50945E-03 -0.41497E-04 2274 0.736E-02 0.755E-02
DAV: 9 -0.242920446189E+04 -0.77760E-03 -0.88780E-04 2292 0.878E-02 0.108E-01
DAV: 10 -0.242920287612E+04 0.15858E-02 -0.21783E-03 2382 0.169E-01 0.109E-01
DAV: 11 -0.242920212194E+04 0.75417E-03 -0.30443E-03 2283 0.895E-02 0.118E-01
DAV: 12 -0.242920201295E+04 0.10899E-03 -0.10777E-03 1995 0.357E-02 0.111E-01
DAV: 13 -0.242920158246E+04 0.43049E-03 -0.39928E-05 2040 0.270E-02 0.136E-01
DAV: 14 -0.242920250622E+04 -0.92377E-03 -0.16046E-04 2328 0.721E-02 0.693E-02
DAV: 15 -0.242920286503E+04 -0.35880E-03 -0.37905E-04 2157 0.417E-02 0.527E-02
DAV: 16 -0.242920313476E+04 -0.26974E-03 -0.27270E-04 2274 0.396E-02 0.463E-02
DAV: 17 -0.242920339523E+04 -0.26046E-03 -0.15421E-04 2364 0.398E-02 0.466E-02
DAV: 18 -0.242920372943E+04 -0.33420E-03 -0.10807E-04 2355 0.491E-02 0.484E-02
DAV: 19 -0.242920403150E+04 -0.30207E-03 -0.41867E-04 2031 0.397E-02 0.596E-02
DAV: 20 -0.242920403398E+04 -0.24800E-05 -0.20411E-04 1941 0.142E-02 0.630E-02
DAV: 21 -0.242920401151E+04 0.22469E-04 -0.19721E-06 1122 0.303E-03 0.628E-02
DAV: 22 -0.242920403852E+04 -0.27007E-04 -0.80144E-07 1041 0.315E-03 0.630E-02
DAV: 23 -0.242920401789E+04 0.20632E-04 -0.87634E-07 978 0.355E-03 0.614E-02
DAV: 24 -0.242920414752E+04 -0.12963E-03 -0.54443E-05 2004 0.124E-02 0.631E-02
DAV: 25 -0.242920415134E+04 -0.38224E-05 -0.11723E-05 1365 0.321E-03
54 F= -.24292042E+04 E0= -.24292141E+04 d E =-.198252E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920408924E+04 0.58280E-04 -0.30773E-01 1704 0.675E-01 0.171E-01
DAV: 2 -0.242920426485E+04 -0.17561E-03 -0.76009E-03 2067 0.107E-01 0.878E-02
DAV: 3 -0.242920391959E+04 0.34527E-03 -0.87601E-04 2031 0.487E-02 0.627E-02
DAV: 4 -0.242920356084E+04 0.35875E-03 -0.29980E-04 2382 0.454E-02 0.467E-02
DAV: 5 -0.242920315376E+04 0.40707E-03 -0.36151E-04 2193 0.485E-02 0.524E-02
DAV: 6 -0.242920319969E+04 -0.45925E-04 -0.37810E-04 1923 0.199E-02 0.558E-02
DAV: 7 -0.242920320670E+04 -0.70159E-05 -0.46480E-06 1257 0.230E-03
55 F= -.24292032E+04 E0= -.24292169E+04 d E =-.103788E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920326144E+04 -0.61750E-04 -0.20164E-02 1704 0.173E-01 0.684E-02
DAV: 2 -0.242920294390E+04 0.31753E-03 -0.76835E-04 2184 0.411E-02 0.580E-02
DAV: 3 -0.242920272654E+04 0.21736E-03 -0.25035E-04 2049 0.234E-02 0.614E-02
DAV: 4 -0.242920306081E+04 -0.33426E-03 -0.14465E-04 2301 0.300E-02 0.561E-02
DAV: 5 -0.242920360562E+04 -0.54481E-03 -0.57638E-04 2580 0.728E-02 0.451E-02
DAV: 6 -0.242920450997E+04 -0.90436E-03 -0.15045E-03 2445 0.115E-01 0.677E-02
DAV: 7 -0.242920412141E+04 0.38856E-03 -0.13186E-03 2067 0.622E-02 0.836E-02
DAV: 8 -0.242920394081E+04 0.18061E-03 -0.28631E-04 2256 0.251E-02 0.702E-02
DAV: 9 -0.242920388827E+04 0.52540E-04 -0.11111E-04 2049 0.133E-02 0.610E-02
DAV: 10 -0.242920363465E+04 0.25362E-03 -0.37096E-05 2112 0.301E-02 0.611E-02
DAV: 11 -0.242920400820E+04 -0.37355E-03 -0.41254E-05 2193 0.437E-02 0.587E-02
DAV: 12 -0.242920461546E+04 -0.60726E-03 -0.51637E-04 2454 0.677E-02 0.748E-02
DAV: 13 -0.242920762380E+04 -0.30083E-02 -0.27063E-03 2544 0.207E-01 0.154E-01
DAV: 14 -0.242920386710E+04 0.37567E-02 -0.36360E-03 2607 0.259E-01 0.107E-01
DAV: 15 -0.242920350722E+04 0.35988E-03 -0.31744E-03 2049 0.691E-02 0.938E-02
DAV: 16 -0.242919851439E+04 0.49928E-02 -0.31276E-03 2814 0.249E-01 0.284E-01
DAV: 17 -0.242920078741E+04 -0.22730E-02 -0.40298E-03 1995 0.747E-02 0.164E-01
DAV: 18 -0.242919994039E+04 0.84702E-03 -0.34831E-04 1977 0.362E-02 0.211E-01
DAV: 19 -0.242920041118E+04 -0.47079E-03 -0.75329E-05 2022 0.180E-02 0.185E-01
DAV: 20 -0.242920029375E+04 0.11743E-03 -0.14923E-05 1392 0.611E-03 0.192E-01
DAV: 21 -0.242920028269E+04 0.11056E-04 -0.54713E-06 1041 0.217E-03 0.192E-01
DAV: 22 -0.242919998021E+04 0.30248E-03 -0.63817E-06 1473 0.104E-02 0.206E-01
DAV: 23 -0.242920019637E+04 -0.21616E-03 -0.50232E-06 1410 0.762E-03 0.194E-01
DAV: 24 -0.242919778553E+04 0.24108E-02 -0.43518E-04 2481 0.679E-02 0.290E-01
DAV: 25 -0.242920108686E+04 -0.33013E-02 -0.14455E-03 2661 0.107E-01 0.153E-01
DAV: 26 -0.242920179520E+04 -0.70835E-03 -0.61775E-04 2004 0.315E-02 0.137E-01
DAV: 27 -0.242920200685E+04 -0.21165E-03 -0.17567E-04 2049 0.157E-02 0.141E-01
DAV: 28 -0.242920197755E+04 0.29299E-04 -0.78563E-06 1266 0.376E-03 0.145E-01
DAV: 29 -0.242920206222E+04 -0.84669E-04 -0.64416E-07 1176 0.482E-03 0.140E-01
DAV: 30 -0.242920306051E+04 -0.99829E-03 -0.33056E-04 2526 0.788E-02 0.999E-02
DAV: 31 -0.242920283169E+04 0.22882E-03 -0.14684E-04 1950 0.311E-02 0.112E-01
DAV: 32 -0.242920254610E+04 0.28559E-03 -0.75427E-05 2058 0.252E-02 0.120E-01
DAV: 33 -0.242920254885E+04 -0.27513E-05 -0.83048E-05 1914 0.845E-03
56 F= -.24292025E+04 E0= -.24292187E+04 d E =-.380029E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920300911E+04 -0.46301E-03 -0.41222E-02 1704 0.247E-01 0.114E-01
DAV: 2 -0.242920223817E+04 0.77093E-03 -0.15087E-03 2265 0.631E-02 0.123E-01
DAV: 3 -0.242920246339E+04 -0.22521E-03 -0.38906E-04 1923 0.203E-02 0.112E-01
DAV: 4 -0.242920321774E+04 -0.75435E-03 -0.15196E-03 2697 0.647E-02 0.100E-01
DAV: 5 -0.242920382833E+04 -0.61060E-03 -0.16154E-03 2058 0.636E-02 0.120E-01
DAV: 6 -0.242920425603E+04 -0.42770E-03 -0.53725E-04 2274 0.489E-02 0.136E-01
DAV: 7 -0.242920449413E+04 -0.23810E-03 -0.43329E-04 2013 0.312E-02 0.159E-01
DAV: 8 -0.242920424523E+04 0.24891E-03 -0.10620E-04 2202 0.296E-02 0.169E-01
DAV: 9 -0.242920500061E+04 -0.75538E-03 -0.13959E-04 2526 0.863E-02 0.171E-01
DAV: 10 -0.242920514887E+04 -0.14826E-03 -0.48868E-04 1959 0.183E-02 0.184E-01
DAV: 11 -0.242920430574E+04 0.84313E-03 -0.31093E-04 2490 0.841E-02 0.181E-01
DAV: 12 -0.242919839915E+04 0.59066E-02 -0.55870E-03 2778 0.279E-01 0.338E-01
DAV: 13 -0.242919885560E+04 -0.45645E-03 -0.79492E-03 1941 0.718E-02 0.282E-01
DAV: 14 -0.242919866905E+04 0.18656E-03 -0.10399E-04 2049 0.103E-02 0.291E-01
DAV: 15 -0.242919886185E+04 -0.19280E-03 -0.89436E-06 1401 0.675E-03 0.287E-01
DAV: 16 -0.242920047461E+04 -0.16128E-02 -0.52651E-04 2517 0.492E-02 0.254E-01
DAV: 17 -0.242919975159E+04 0.72302E-03 -0.30464E-04 2094 0.273E-02 0.306E-01
DAV: 18 -0.242919989731E+04 -0.14572E-03 -0.31792E-05 1707 0.797E-03 0.291E-01
DAV: 19 -0.242919988991E+04 0.74080E-05 -0.42525E-06 1014 0.196E-03
57 F= -.24291999E+04 E0= -.24292246E+04 d E =0.265894E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920092789E+04 -0.10306E-02 -0.37092E-01 1704 0.740E-01 0.298E-01
DAV: 2 -0.242919497239E+04 0.59555E-02 -0.16065E-02 2364 0.196E-01 0.339E-01
DAV: 3 -0.242919604329E+04 -0.10709E-02 -0.42965E-03 1887 0.641E-02 0.311E-01
DAV: 4 -0.242919997614E+04 -0.39329E-02 -0.79412E-03 2742 0.130E-01 0.275E-01
DAV: 5 -0.242920171796E+04 -0.17418E-02 -0.51327E-03 2031 0.114E-01 0.343E-01
DAV: 6 -0.242920449198E+04 -0.27740E-02 -0.43879E-03 2571 0.129E-01 0.403E-01
DAV: 7 -0.242920836230E+04 -0.38703E-02 -0.34241E-03 2418 0.174E-01 0.483E-01
DAV: 8 -0.242921429378E+04 -0.59315E-02 -0.75340E-03 2319 0.211E-01 0.607E-01
DAV: 9 -0.242921468043E+04 -0.38664E-03 -0.58566E-03 1914 0.787E-02 0.690E-01
DAV: 10 -0.242921462868E+04 0.51745E-04 -0.85937E-05 2076 0.943E-03 0.683E-01
DAV: 11 -0.242921540675E+04 -0.77807E-03 -0.97499E-05 2346 0.286E-02 0.699E-01
DAV: 12 -0.242921581434E+04 -0.40759E-03 -0.67743E-04 2193 0.605E-02 0.735E-01
DAV: 13 -0.242921535648E+04 0.45786E-03 -0.84367E-04 2220 0.648E-02 0.778E-01
DAV: 14 -0.242921583818E+04 -0.48170E-03 -0.92730E-04 2256 0.130E-01 0.889E-01
DAV: 15 -0.242922332924E+04 -0.74911E-02 -0.72499E-03 2472 0.234E-01 0.111E+00
DAV: 16 -0.242921786689E+04 0.54623E-02 -0.51788E-03 2193 0.140E-01 0.106E+00
DAV: 17 -0.242921809006E+04 -0.22317E-03 -0.12460E-03 1986 0.332E-02 0.103E+00
DAV: 18 -0.242921813371E+04 -0.43650E-04 -0.23773E-05 1698 0.482E-03 0.103E+00
DAV: 19 -0.242921809025E+04 0.43459E-04 -0.20665E-06 1113 0.189E-03 0.103E+00
DAV: 20 -0.242921720702E+04 0.88323E-03 -0.42408E-05 1887 0.202E-02 0.101E+00
DAV: 21 -0.242921015051E+04 0.70565E-02 -0.44760E-03 2985 0.185E-01 0.841E-01
DAV: 22 -0.242920916152E+04 0.98899E-03 -0.64367E-03 1977 0.868E-02 0.729E-01
DAV: 23 -0.242920873920E+04 0.42232E-03 -0.42354E-04 2094 0.290E-02 0.694E-01
DAV: 24 -0.242920871964E+04 0.19557E-04 -0.60110E-05 1887 0.805E-03 0.684E-01
DAV: 25 -0.242920870843E+04 0.11211E-04 -0.83820E-07 1131 0.148E-03 0.683E-01
DAV: 26 -0.242920720761E+04 0.15008E-02 -0.51009E-04 2796 0.740E-02 0.615E-01
DAV: 27 -0.242920505848E+04 0.21491E-02 -0.30681E-03 2544 0.123E-01 0.511E-01
DAV: 28 -0.242920445994E+04 0.59855E-03 -0.26520E-03 2013 0.665E-02 0.428E-01
DAV: 29 -0.242920249352E+04 0.19664E-02 -0.90836E-04 3102 0.864E-02 0.405E-01
DAV: 30 -0.242920263196E+04 -0.13844E-03 -0.76692E-04 1941 0.263E-02 0.378E-01
DAV: 31 -0.242920242452E+04 0.20745E-03 -0.12272E-05 1545 0.788E-03 0.378E-01
DAV: 32 -0.242920228791E+04 0.13660E-03 -0.17560E-05 1509 0.672E-03 0.379E-01
DAV: 33 -0.242920229254E+04 -0.46222E-05 -0.64691E-06 1050 0.276E-03
58 F= -.24292023E+04 E0= -.24292245E+04 d E =0.256313E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920036276E+04 0.19251E-02 -0.14835E+00 1704 0.148E+00 0.439E-01
DAV: 2 -0.242920018227E+04 0.18049E-03 -0.34165E-02 2022 0.232E-01 0.334E-01
DAV: 3 -0.242919532442E+04 0.48578E-02 -0.73776E-03 2067 0.136E-01 0.332E-01
DAV: 4 -0.242919481399E+04 0.51043E-03 -0.21466E-03 1941 0.503E-02 0.316E-01
DAV: 5 -0.242919586802E+04 -0.10540E-02 -0.16323E-03 2481 0.460E-02 0.367E-01
DAV: 6 -0.242919636035E+04 -0.49233E-03 -0.17473E-03 2301 0.297E-02 0.400E-01
DAV: 7 -0.242920133866E+04 -0.49783E-02 -0.10776E-02 2094 0.143E-01 0.500E-01
DAV: 8 -0.242920483416E+04 -0.34955E-02 -0.43722E-03 2418 0.149E-01 0.710E-01
DAV: 9 -0.242920537083E+04 -0.53667E-03 -0.38456E-03 2229 0.135E-01 0.681E-01
DAV: 10 -0.242920931728E+04 -0.39465E-02 -0.78304E-04 2904 0.168E-01 0.784E-01
DAV: 11 -0.242921852974E+04 -0.92125E-02 -0.64036E-03 2499 0.325E-01 0.888E-01
DAV: 12 -0.242921943059E+04 -0.90086E-03 -0.11184E-02 1905 0.923E-02 0.846E-01
DAV: 13 -0.242921874075E+04 0.68984E-03 -0.69381E-04 2184 0.325E-02 0.783E-01
DAV: 14 -0.242921397587E+04 0.47649E-02 -0.71895E-04 2301 0.114E-01 0.694E-01
DAV: 15 -0.242920855188E+04 0.54240E-02 -0.13859E-02 2076 0.176E-01 0.469E-01
DAV: 16 -0.242921032760E+04 -0.17757E-02 -0.70999E-03 2013 0.101E-01 0.542E-01
DAV: 17 -0.242920909284E+04 0.12348E-02 -0.55562E-04 2301 0.496E-02 0.518E-01
DAV: 18 -0.242920899823E+04 0.94610E-04 -0.22617E-04 2319 0.475E-02 0.525E-01
DAV: 19 -0.242920848641E+04 0.51182E-03 -0.64576E-04 2229 0.553E-02 0.546E-01
DAV: 20 -0.242920804379E+04 0.44263E-03 -0.62787E-04 2004 0.281E-02 0.505E-01
DAV: 21 -0.242920743462E+04 0.60917E-03 -0.15024E-04 2553 0.425E-02 0.505E-01
DAV: 22 -0.242920452846E+04 0.29062E-02 -0.31734E-03 2355 0.118E-01 0.328E-01
DAV: 23 -0.242920477204E+04 -0.24358E-03 -0.16400E-03 1905 0.399E-02 0.285E-01
DAV: 24 -0.242920502043E+04 -0.24839E-03 -0.48987E-05 1986 0.130E-02 0.310E-01
DAV: 25 -0.242920466561E+04 0.35482E-03 -0.12815E-04 2175 0.247E-02 0.286E-01
DAV: 26 -0.242920402915E+04 0.63646E-03 -0.83031E-04 2067 0.558E-02 0.204E-01
DAV: 27 -0.242920412221E+04 -0.93063E-04 -0.39471E-04 2022 0.244E-02 0.186E-01
DAV: 28 -0.242920416398E+04 -0.41763E-04 -0.79639E-05 1968 0.139E-02 0.198E-01
DAV: 29 -0.242920416056E+04 0.34137E-05 -0.17412E-05 1734 0.130E-02
59 F= -.24292042E+04 E0= -.24292158E+04 d E =-.161171E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920449105E+04 -0.32707E-03 -0.41185E-01 1704 0.780E-01 0.250E-01
DAV: 2 -0.242920454850E+04 -0.57450E-04 -0.10770E-02 2004 0.130E-01 0.137E-01
DAV: 3 -0.242920446716E+04 0.81338E-04 -0.30942E-03 2031 0.582E-02 0.946E-02
DAV: 4 -0.242920434767E+04 0.11949E-03 -0.15041E-03 2328 0.323E-02 0.550E-02
DAV: 5 -0.242920420673E+04 0.14094E-03 -0.34571E-04 2085 0.241E-02 0.376E-02
DAV: 6 -0.242920405543E+04 0.15130E-03 -0.96315E-05 2265 0.247E-02 0.405E-02
DAV: 7 -0.242920428782E+04 -0.23239E-03 -0.12738E-04 2445 0.365E-02 0.353E-02
DAV: 8 -0.242920444082E+04 -0.15300E-03 -0.29252E-04 2319 0.378E-02 0.317E-02
DAV: 9 -0.242920462218E+04 -0.18136E-03 -0.27542E-04 2355 0.517E-02 0.290E-02
DAV: 10 -0.242920486446E+04 -0.24228E-03 -0.50031E-04 2400 0.558E-02 0.442E-02
DAV: 11 -0.242920485525E+04 0.92113E-05 -0.42863E-04 1959 0.217E-02 0.583E-02
DAV: 12 -0.242920469809E+04 0.15716E-03 -0.66960E-05 2202 0.313E-02 0.502E-02
DAV: 13 -0.242920444475E+04 0.25334E-03 -0.34478E-04 2427 0.570E-02 0.407E-02
DAV: 14 -0.242920416508E+04 0.27967E-03 -0.69601E-04 2490 0.653E-02 0.432E-02
DAV: 15 -0.242920378369E+04 0.38139E-03 -0.69340E-04 2454 0.632E-02 0.724E-02
DAV: 16 -0.242920429319E+04 -0.50950E-03 -0.57807E-04 2337 0.839E-02 0.387E-02
DAV: 17 -0.242920465833E+04 -0.36514E-03 -0.17122E-03 2499 0.117E-01 0.269E-02
DAV: 18 -0.242920530651E+04 -0.64818E-03 -0.26689E-03 2418 0.101E-01 0.735E-02
DAV: 19 -0.242920560059E+04 -0.29408E-03 -0.12179E-03 2031 0.408E-02 0.112E-01
DAV: 20 -0.242920568518E+04 -0.84589E-04 -0.54120E-05 2013 0.109E-02 0.118E-01
DAV: 21 -0.242920569326E+04 -0.80877E-05 -0.15752E-05 1338 0.419E-03
60 F= -.24292057E+04 E0= -.24292150E+04 d E =-.314442E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920570728E+04 -0.22098E-04 -0.41336E-02 1716 0.247E-01 0.134E-01
DAV: 2 -0.242920526508E+04 0.44219E-03 -0.23296E-03 2418 0.761E-02 0.795E-02
DAV: 3 -0.242920515165E+04 0.11343E-03 -0.19256E-03 2022 0.464E-02 0.662E-02
DAV: 4 -0.242920500574E+04 0.14591E-03 -0.50563E-04 2139 0.257E-02 0.307E-02
DAV: 5 -0.242920486047E+04 0.14527E-03 -0.90891E-05 1932 0.254E-02 0.233E-02
DAV: 6 -0.242920459829E+04 0.26218E-03 -0.15910E-04 2490 0.525E-02 0.257E-02
DAV: 7 -0.242920473683E+04 -0.13854E-03 -0.16208E-04 1968 0.262E-02 0.258E-02
DAV: 8 -0.242920477196E+04 -0.35134E-04 -0.33514E-05 1851 0.965E-03 0.258E-02
DAV: 9 -0.242920480030E+04 -0.28337E-04 -0.13196E-05 1509 0.748E-03 0.250E-02
DAV: 10 -0.242920498370E+04 -0.18340E-03 -0.54899E-05 2265 0.396E-02 0.236E-02
DAV: 11 -0.242920603405E+04 -0.10503E-02 -0.12317E-03 2697 0.146E-01 0.677E-02
DAV: 12 -0.242920473225E+04 0.13018E-02 -0.12296E-03 2724 0.182E-01 0.329E-02
DAV: 13 -0.242920502189E+04 -0.28964E-03 -0.30108E-04 1950 0.408E-02 0.397E-02
DAV: 14 -0.242920480888E+04 0.21301E-03 -0.13379E-04 2085 0.417E-02 0.453E-02
DAV: 15 -0.242920452088E+04 0.28800E-03 -0.38256E-04 2436 0.577E-02 0.414E-02
DAV: 16 -0.242920417595E+04 0.34493E-03 -0.62413E-04 2355 0.638E-02 0.526E-02
DAV: 17 -0.242920429057E+04 -0.11463E-03 -0.44441E-04 1914 0.219E-02 0.479E-02
DAV: 18 -0.242920437326E+04 -0.82688E-04 -0.24401E-05 1770 0.161E-02 0.432E-02
DAV: 19 -0.242920442258E+04 -0.49324E-04 -0.49213E-05 1932 0.115E-02 0.394E-02
DAV: 20 -0.242920438682E+04 0.35761E-04 -0.16146E-05 1554 0.711E-03 0.398E-02
DAV: 21 -0.242920432657E+04 0.60251E-04 -0.95667E-06 1446 0.919E-03 0.416E-02
DAV: 22 -0.242920461358E+04 -0.28701E-03 -0.13802E-04 2526 0.643E-02 0.334E-02
DAV: 23 -0.242920471175E+04 -0.98175E-04 -0.44419E-04 1977 0.214E-02 0.459E-02
DAV: 24 -0.242920471683E+04 -0.50806E-05 -0.34846E-05 1725 0.608E-03
61 F= -.24292047E+04 E0= -.24292165E+04 d E =-.216798E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920537198E+04 -0.66023E-03 -0.10893E-01 1704 0.401E-01 0.954E-02
DAV: 2 -0.242920543343E+04 -0.61444E-04 -0.25354E-03 2013 0.632E-02 0.554E-02
DAV: 3 -0.242920533479E+04 0.98638E-04 -0.44295E-04 2022 0.294E-02 0.423E-02
DAV: 4 -0.242920524375E+04 0.91041E-04 -0.17623E-04 2175 0.192E-02 0.347E-02
DAV: 5 -0.242920511403E+04 0.12972E-03 -0.68137E-05 1995 0.202E-02 0.349E-02
DAV: 6 -0.242920523403E+04 -0.12000E-03 -0.45940E-05 2022 0.192E-02 0.311E-02
DAV: 7 -0.242920535768E+04 -0.12365E-03 -0.13198E-04 2184 0.274E-02 0.279E-02
DAV: 8 -0.242920567404E+04 -0.31637E-03 -0.47755E-04 2643 0.754E-02 0.387E-02
DAV: 9 -0.242920620671E+04 -0.53267E-03 -0.11837E-03 2355 0.884E-02 0.724E-02
DAV: 10 -0.242920586280E+04 0.34391E-03 -0.97855E-04 2094 0.634E-02 0.910E-02
DAV: 11 -0.242920578266E+04 0.80140E-04 -0.29768E-04 2013 0.191E-02 0.741E-02
DAV: 12 -0.242920575305E+04 0.29616E-04 -0.54121E-05 1986 0.942E-03 0.639E-02
DAV: 13 -0.242920560078E+04 0.15227E-03 -0.39523E-05 2049 0.270E-02 0.571E-02
DAV: 14 -0.242920532217E+04 0.27862E-03 -0.29621E-04 2472 0.535E-02 0.484E-02
DAV: 15 -0.242920474929E+04 0.57288E-03 -0.65710E-04 2544 0.869E-02 0.677E-02
DAV: 16 -0.242920518132E+04 -0.43204E-03 -0.66444E-04 2085 0.520E-02 0.389E-02
DAV: 17 -0.242920524455E+04 -0.63230E-04 -0.15543E-04 2031 0.137E-02 0.382E-02
DAV: 18 -0.242920529075E+04 -0.46192E-04 -0.89598E-06 1500 0.959E-03 0.359E-02
DAV: 19 -0.242920546087E+04 -0.17013E-03 -0.73606E-05 2355 0.392E-02 0.278E-02
DAV: 20 -0.242920556925E+04 -0.10838E-03 -0.21193E-04 2013 0.250E-02 0.315E-02
DAV: 21 -0.242920579988E+04 -0.23062E-03 -0.10112E-04 2256 0.526E-02 0.355E-02
DAV: 22 -0.242920599609E+04 -0.19622E-03 -0.54727E-04 2040 0.350E-02 0.562E-02
DAV: 23 -0.242920601595E+04 -0.19855E-04 -0.15369E-04 1923 0.126E-02 0.666E-02
DAV: 24 -0.242920595451E+04 0.61436E-04 -0.69957E-07 1374 0.912E-03 0.647E-02
DAV: 25 -0.242920592302E+04 0.31496E-04 -0.18034E-05 1617 0.605E-03 0.601E-02
DAV: 26 -0.242920594120E+04 -0.18187E-04 -0.71066E-06 1203 0.399E-03 0.576E-02
DAV: 27 -0.242920599451E+04 -0.53306E-04 -0.60091E-06 1392 0.862E-03 0.575E-02
DAV: 28 -0.242920596228E+04 0.32226E-04 -0.32601E-06 1257 0.526E-03 0.584E-02
DAV: 29 -0.242920599927E+04 -0.36990E-04 -0.12715E-06 1212 0.576E-03 0.579E-02
DAV: 30 -0.242920590543E+04 0.93842E-04 -0.20104E-06 1482 0.143E-02 0.590E-02
DAV: 31 -0.242920578156E+04 0.12388E-03 -0.54840E-05 1977 0.216E-02 0.635E-02
DAV: 32 -0.242920570897E+04 0.72587E-04 -0.78972E-05 2049 0.158E-02 0.585E-02
DAV: 33 -0.242920570573E+04 0.32386E-05 -0.34764E-05 1644 0.599E-03
62 F= -.24292057E+04 E0= -.24292168E+04 d E =-.988897E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920528248E+04 0.42649E-03 -0.98039E-01 1704 0.120E+00 0.249E-01
DAV: 2 -0.242920693545E+04 -0.16530E-02 -0.21452E-02 1977 0.166E-01 0.130E-01
DAV: 3 -0.242920667505E+04 0.26039E-03 -0.75618E-04 2058 0.412E-02 0.812E-02
DAV: 4 -0.242920645265E+04 0.22241E-03 -0.59736E-04 2292 0.439E-02 0.476E-02
DAV: 5 -0.242920633634E+04 0.11630E-03 -0.54628E-04 2067 0.300E-02 0.375E-02
DAV: 6 -0.242920628503E+04 0.51310E-04 -0.11612E-04 2031 0.152E-02 0.370E-02
DAV: 7 -0.242920631829E+04 -0.33258E-04 -0.13998E-05 1482 0.570E-03 0.382E-02
DAV: 8 -0.242920640421E+04 -0.85923E-04 -0.23960E-05 1707 0.160E-02 0.389E-02
DAV: 9 -0.242920674089E+04 -0.33668E-03 -0.43545E-04 2724 0.795E-02 0.452E-02
DAV: 10 -0.242920700906E+04 -0.26817E-03 -0.10192E-03 2040 0.468E-02 0.634E-02
DAV: 11 -0.242920704026E+04 -0.31199E-04 -0.28697E-04 1896 0.167E-02 0.633E-02
DAV: 12 -0.242920701378E+04 0.26478E-04 -0.54461E-06 1338 0.759E-03 0.642E-02
DAV: 13 -0.242920676868E+04 0.24510E-03 -0.36421E-04 2733 0.637E-02 0.844E-02
DAV: 14 -0.242920676807E+04 0.61508E-06 -0.51848E-04 1968 0.233E-02 0.984E-02
DAV: 15 -0.242920681585E+04 -0.47786E-04 -0.40366E-05 1824 0.691E-03 0.111E-01
DAV: 16 -0.242920650748E+04 0.30837E-03 -0.12614E-04 2499 0.532E-02 0.126E-01
DAV: 17 -0.242920580319E+04 0.70429E-03 -0.65302E-04 2373 0.848E-02 0.148E-01
DAV: 18 -0.242920594262E+04 -0.13942E-03 -0.75315E-04 1923 0.238E-02 0.156E-01
DAV: 19 -0.242920599884E+04 -0.56227E-04 -0.91108E-06 1509 0.738E-03 0.153E-01
DAV: 20 -0.242920615820E+04 -0.15936E-03 -0.25474E-05 1833 0.195E-02 0.145E-01
DAV: 21 -0.242920627684E+04 -0.11864E-03 -0.20754E-04 2301 0.330E-02 0.119E-01
DAV: 22 -0.242920631395E+04 -0.37111E-04 -0.21071E-04 1977 0.159E-02 0.978E-02
DAV: 23 -0.242920631739E+04 -0.34407E-05 -0.62660E-06 1104 0.293E-03
63 F= -.24292063E+04 E0= -.24292202E+04 d E =-.160056E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920720959E+04 -0.89565E-03 -0.19235E-01 1704 0.532E-01 0.139E-01
DAV: 2 -0.242920734052E+04 -0.13093E-03 -0.43064E-03 2013 0.777E-02 0.789E-02
DAV: 3 -0.242920701275E+04 0.32777E-03 -0.42874E-04 2076 0.392E-02 0.672E-02
DAV: 4 -0.242920677854E+04 0.23421E-03 -0.32698E-04 2022 0.283E-02 0.727E-02
DAV: 5 -0.242920714316E+04 -0.36462E-03 -0.18186E-04 2184 0.299E-02 0.755E-02
DAV: 6 -0.242920744840E+04 -0.30524E-03 -0.60144E-04 2355 0.482E-02 0.640E-02
DAV: 7 -0.242920763163E+04 -0.18323E-03 -0.59370E-04 2049 0.392E-02 0.525E-02
DAV: 8 -0.242920788224E+04 -0.25061E-03 -0.17507E-04 2400 0.552E-02 0.453E-02
DAV: 9 -0.242920822365E+04 -0.34141E-03 -0.58461E-04 2274 0.705E-02 0.537E-02
DAV: 10 -0.242920812316E+04 0.10049E-03 -0.59259E-04 2004 0.345E-02 0.523E-02
DAV: 11 -0.242920813753E+04 -0.14370E-04 -0.35563E-05 1716 0.568E-03 0.511E-02
DAV: 12 -0.242920813421E+04 0.33188E-05 -0.27249E-06 1005 0.173E-03
64 F= -.24292081E+04 E0= -.24292189E+04 d E =-.181682E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920805760E+04 0.79935E-04 -0.52585E-01 1704 0.880E-01 0.186E-01
DAV: 2 -0.242920887444E+04 -0.81684E-03 -0.11659E-02 2004 0.123E-01 0.990E-02
DAV: 3 -0.242920869272E+04 0.18172E-03 -0.58341E-04 2058 0.348E-02 0.637E-02
DAV: 4 -0.242920852271E+04 0.17001E-03 -0.39860E-04 2319 0.346E-02 0.412E-02
DAV: 5 -0.242920839878E+04 0.12393E-03 -0.36367E-04 2067 0.273E-02 0.329E-02
DAV: 6 -0.242920833746E+04 0.61319E-04 -0.12368E-04 2049 0.167E-02 0.334E-02
DAV: 7 -0.242920837780E+04 -0.40338E-04 -0.21638E-05 1608 0.701E-03 0.351E-02
DAV: 8 -0.242920848753E+04 -0.10973E-03 -0.43583E-05 1923 0.211E-02 0.372E-02
DAV: 9 -0.242920885448E+04 -0.36695E-03 -0.49520E-04 2670 0.862E-02 0.496E-02
DAV: 10 -0.242920886496E+04 -0.10482E-04 -0.62324E-04 1905 0.229E-02 0.492E-02
DAV: 11 -0.242920875907E+04 0.10588E-03 -0.46529E-05 2031 0.242E-02 0.488E-02
DAV: 12 -0.242920934381E+04 -0.58474E-03 -0.63953E-04 2796 0.101E-01 0.754E-02
DAV: 13 -0.242920998945E+04 -0.64564E-03 -0.20284E-03 2058 0.638E-02 0.143E-01
DAV: 14 -0.242921022840E+04 -0.23895E-03 -0.59692E-04 2049 0.294E-02 0.169E-01
DAV: 15 -0.242921022059E+04 0.78100E-05 -0.20671E-05 1446 0.482E-03
65 F= -.24292102E+04 E0= -.24292195E+04 d E =-.390320E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242921087788E+04 -0.64948E-03 -0.18414E-01 1704 0.522E-01 0.205E-01
DAV: 2 -0.242921015982E+04 0.71806E-03 -0.74443E-03 2085 0.124E-01 0.102E-01
DAV: 3 -0.242921002482E+04 0.13500E-03 -0.44705E-03 2022 0.680E-02 0.891E-02
DAV: 4 -0.242920981468E+04 0.21014E-03 -0.10432E-03 2103 0.306E-02 0.442E-02
DAV: 5 -0.242920961423E+04 0.20045E-03 -0.17770E-04 2013 0.265E-02 0.332E-02
DAV: 6 -0.242920925421E+04 0.36002E-03 -0.16568E-04 2481 0.507E-02 0.380E-02
DAV: 7 -0.242920959184E+04 -0.33763E-03 -0.12311E-04 2310 0.473E-02 0.328E-02
DAV: 8 -0.242920994948E+04 -0.35763E-03 -0.44082E-04 2490 0.568E-02 0.392E-02
DAV: 9 -0.242921133347E+04 -0.13840E-02 -0.15443E-03 2670 0.148E-01 0.901E-02
DAV: 10 -0.242920886657E+04 0.24669E-02 -0.29963E-03 2697 0.261E-01 0.755E-02
DAV: 11 -0.242920915231E+04 -0.28574E-03 -0.22345E-03 1932 0.294E-02 0.439E-02
DAV: 12 -0.242920911384E+04 0.38469E-04 -0.52648E-05 2022 0.820E-03 0.480E-02
DAV: 13 -0.242920882613E+04 0.28770E-03 -0.44099E-05 2094 0.335E-02 0.720E-02
DAV: 14 -0.242920240332E+04 0.64228E-02 -0.21770E-03 2679 0.228E-01 0.373E-01
DAV: 15 -0.242920481687E+04 -0.24136E-02 -0.24680E-03 1968 0.595E-02 0.262E-01
DAV: 16 -0.242920580484E+04 -0.98797E-03 -0.16843E-04 2112 0.314E-02 0.216E-01
DAV: 17 -0.242920612287E+04 -0.31802E-03 -0.18131E-04 2013 0.161E-02 0.210E-01
DAV: 18 -0.242920625231E+04 -0.12944E-03 -0.75455E-06 1266 0.490E-03 0.207E-01
DAV: 19 -0.242920630314E+04 -0.50839E-04 -0.38991E-06 1041 0.297E-03 0.205E-01
DAV: 20 -0.242920624541E+04 0.57736E-04 -0.95575E-07 969 0.230E-03 0.208E-01
DAV: 21 -0.242920688288E+04 -0.63747E-03 -0.35298E-05 1860 0.238E-02 0.175E-01
DAV: 22 -0.242920758308E+04 -0.70020E-03 -0.15142E-04 2211 0.323E-02 0.140E-01
DAV: 23 -0.242920779120E+04 -0.20813E-03 -0.13273E-04 2004 0.142E-02 0.134E-01
DAV: 24 -0.242920787642E+04 -0.85218E-04 -0.35343E-06 1455 0.840E-03 0.131E-01
DAV: 25 -0.242920816346E+04 -0.28703E-03 -0.21756E-05 1995 0.192E-02 0.117E-01
DAV: 26 -0.242920830127E+04 -0.13781E-03 -0.81170E-05 1977 0.122E-02 0.118E-01
DAV: 27 -0.242920845904E+04 -0.15777E-03 -0.86149E-06 1518 0.121E-02 0.109E-01
DAV: 28 -0.242920851199E+04 -0.52949E-04 -0.12484E-05 1599 0.912E-03 0.105E-01
DAV: 29 -0.242920851909E+04 -0.70980E-05 -0.93383E-06 1401 0.621E-03
66 F= -.24292085E+04 E0= -.24292250E+04 d E =0.170150E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920858629E+04 -0.74297E-04 -0.38171E-02 1704 0.238E-01 0.121E-01
DAV: 2 -0.242920731236E+04 0.12739E-02 -0.23375E-03 2544 0.827E-02 0.146E-01
DAV: 3 -0.242920796925E+04 -0.65689E-03 -0.70430E-04 2031 0.331E-02 0.125E-01
DAV: 4 -0.242920897308E+04 -0.10038E-02 -0.29357E-03 2715 0.824E-02 0.896E-02
DAV: 5 -0.242920950801E+04 -0.53493E-03 -0.14863E-03 2022 0.594E-02 0.102E-01
DAV: 6 -0.242920977956E+04 -0.27154E-03 -0.44798E-04 2220 0.345E-02 0.112E-01
DAV: 7 -0.242920991057E+04 -0.13102E-03 -0.10865E-04 2013 0.192E-02 0.115E-01
DAV: 8 -0.242921022905E+04 -0.31847E-03 -0.83558E-05 2400 0.444E-02 0.106E-01
DAV: 9 -0.242921120159E+04 -0.97255E-03 -0.76098E-04 2373 0.109E-01 0.117E-01
DAV: 10 -0.242921069743E+04 0.50416E-03 -0.51717E-04 2022 0.548E-02 0.122E-01
DAV: 11 -0.242921072669E+04 -0.29263E-04 -0.11811E-04 2103 0.981E-03 0.137E-01
DAV: 12 -0.242921026911E+04 0.45758E-03 -0.19115E-04 2454 0.432E-02 0.110E-01
DAV: 13 -0.242920805655E+04 0.22126E-02 -0.34277E-03 2985 0.209E-01 0.131E-01
DAV: 14 -0.242920866732E+04 -0.61077E-03 -0.46817E-03 1923 0.581E-02 0.128E-01
DAV: 15 -0.242920768939E+04 0.97794E-03 -0.28008E-04 2139 0.446E-02 0.147E-01
DAV: 16 -0.242920704178E+04 0.64761E-03 -0.22022E-04 2067 0.287E-02 0.176E-01
DAV: 17 -0.242920672548E+04 0.31630E-03 -0.22098E-04 1995 0.194E-02 0.188E-01
DAV: 18 -0.242920725844E+04 -0.53296E-03 -0.75830E-05 2076 0.198E-02 0.165E-01
DAV: 19 -0.242920772535E+04 -0.46691E-03 -0.17689E-04 2355 0.323E-02 0.137E-01
DAV: 20 -0.242920746833E+04 0.25702E-03 -0.18743E-04 2058 0.221E-02 0.153E-01
DAV: 21 -0.242920816605E+04 -0.69773E-03 -0.98410E-05 2436 0.447E-02 0.119E-01
DAV: 22 -0.242920915778E+04 -0.99172E-03 -0.13312E-03 2580 0.887E-02 0.102E-01
DAV: 23 -0.242920967534E+04 -0.51757E-03 -0.13683E-03 2049 0.565E-02 0.121E-01
DAV: 24 -0.242920984198E+04 -0.16664E-03 -0.28286E-04 2049 0.237E-02 0.127E-01
DAV: 25 -0.242920979829E+04 0.43682E-04 -0.19208E-05 1653 0.924E-03 0.119E-01
DAV: 26 -0.242920958258E+04 0.21572E-03 -0.35216E-04 2022 0.276E-02 0.761E-02
DAV: 27 -0.242920963930E+04 -0.56722E-04 -0.61320E-05 1950 0.110E-02 0.777E-02
DAV: 28 -0.242920984047E+04 -0.20117E-03 -0.71038E-05 2112 0.252E-02 0.877E-02
DAV: 29 -0.242920994595E+04 -0.10548E-03 -0.75227E-05 2085 0.169E-02 0.888E-02
DAV: 30 -0.242921007980E+04 -0.13385E-03 -0.10316E-05 1509 0.190E-02 0.878E-02
DAV: 31 -0.242921020329E+04 -0.12349E-03 -0.70169E-05 2004 0.185E-02 0.901E-02
DAV: 32 -0.242921025256E+04 -0.49273E-04 -0.45876E-05 1941 0.962E-03 0.947E-02
DAV: 33 -0.242921025935E+04 -0.67932E-05 -0.30325E-06 1014 0.193E-03
67 F= -.24292103E+04 E0= -.24292212E+04 d E =-.387640E-04
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242921039351E+04 -0.14095E-03 -0.15266E-01 1704 0.476E-01 0.143E-01
DAV: 2 -0.242921010582E+04 0.28769E-03 -0.43409E-03 2139 0.932E-02 0.889E-02
DAV: 3 -0.242920982047E+04 0.28535E-03 -0.19763E-03 2013 0.552E-02 0.774E-02
DAV: 4 -0.242920952561E+04 0.29486E-03 -0.58268E-04 2247 0.325E-02 0.587E-02
DAV: 5 -0.242920928164E+04 0.24396E-03 -0.16310E-04 1986 0.234E-02 0.622E-02
DAV: 6 -0.242921000432E+04 -0.72268E-03 -0.24124E-04 2499 0.720E-02 0.548E-02
DAV: 7 -0.242921080296E+04 -0.79863E-03 -0.16849E-03 2427 0.993E-02 0.633E-02
DAV: 8 -0.242921151656E+04 -0.71361E-03 -0.18236E-03 2040 0.679E-02 0.945E-02
DAV: 9 -0.242921170225E+04 -0.18568E-03 -0.47617E-04 2031 0.248E-02 0.103E-01
DAV: 10 -0.242921341043E+04 -0.17082E-02 -0.55090E-04 2625 0.106E-01 0.135E-01
DAV: 11 -0.242920936810E+04 0.40423E-02 -0.30283E-03 2742 0.288E-01 0.119E-01
DAV: 12 -0.242920797930E+04 0.13888E-02 -0.69025E-03 2112 0.127E-01 0.153E-01
DAV: 13 -0.242920412477E+04 0.38545E-02 -0.23789E-03 2400 0.138E-01 0.314E-01
DAV: 14 -0.242920597893E+04 -0.18542E-02 -0.27814E-03 1968 0.636E-02 0.212E-01
DAV: 15 -0.242920595382E+04 0.25112E-04 -0.11144E-04 1959 0.943E-03 0.219E-01
DAV: 16 -0.242920602386E+04 -0.70041E-04 -0.53068E-06 1320 0.277E-03 0.216E-01
DAV: 17 -0.242920605861E+04 -0.34746E-04 -0.13380E-06 1014 0.153E-03 0.214E-01
DAV: 18 -0.242920592418E+04 0.13442E-03 -0.16363E-06 1158 0.410E-03 0.221E-01
DAV: 19 -0.242920613758E+04 -0.21340E-03 -0.31013E-07 1374 0.881E-03 0.211E-01
DAV: 20 -0.242920617574E+04 -0.38161E-04 -0.21526E-05 1734 0.109E-02 0.213E-01
DAV: 21 -0.242920696102E+04 -0.78528E-03 -0.42776E-05 1869 0.294E-02 0.175E-01
DAV: 22 -0.242920791006E+04 -0.94904E-03 -0.16833E-04 2688 0.780E-02 0.153E-01
DAV: 23 -0.242920814648E+04 -0.23642E-03 -0.85769E-04 1977 0.292E-02 0.173E-01
DAV: 24 -0.242920827774E+04 -0.13126E-03 -0.28995E-05 1887 0.848E-03 0.169E-01
DAV: 25 -0.242920875590E+04 -0.47816E-03 -0.32038E-05 1914 0.254E-02 0.149E-01
DAV: 26 -0.242921000591E+04 -0.12500E-02 -0.48806E-04 2742 0.959E-02 0.107E-01
DAV: 27 -0.242921057326E+04 -0.56734E-03 -0.11387E-03 2157 0.857E-02 0.870E-02
DAV: 28 -0.242921084868E+04 -0.27542E-03 -0.12586E-03 2040 0.420E-02 0.963E-02
DAV: 29 -0.242921083202E+04 0.16654E-04 -0.97517E-05 2013 0.143E-02 0.956E-02
DAV: 30 -0.242921090197E+04 -0.69949E-04 -0.33070E-05 1869 0.147E-02 0.883E-02
DAV: 31 -0.242921130427E+04 -0.40230E-03 -0.10292E-04 2337 0.391E-02 0.877E-02
DAV: 32 -0.242921154326E+04 -0.23899E-03 -0.21154E-04 2058 0.248E-02 0.984E-02
DAV: 33 -0.242921165367E+04 -0.11041E-03 -0.87630E-05 1986 0.126E-02 0.106E-01
DAV: 34 -0.242921171345E+04 -0.59784E-04 -0.73908E-06 1392 0.578E-03 0.107E-01
DAV: 35 -0.242921180891E+04 -0.95454E-04 -0.29297E-06 1392 0.768E-03 0.108E-01
DAV: 36 -0.242921196869E+04 -0.15978E-03 -0.13324E-05 1527 0.123E-02 0.110E-01
DAV: 37 -0.242921208563E+04 -0.11694E-03 -0.30490E-05 1878 0.972E-03 0.114E-01
DAV: 38 -0.242921209409E+04 -0.84695E-05 -0.11467E-05 1140 0.348E-03
68 F= -.24292121E+04 E0= -.24292215E+04 d E =-.187351E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242921131739E+04 0.76824E-03 -0.61077E-01 1704 0.951E-01 0.227E-01
DAV: 2 -0.242921121475E+04 0.10264E-03 -0.14691E-02 2085 0.159E-01 0.136E-01
DAV: 3 -0.242921063028E+04 0.58446E-03 -0.41453E-03 2040 0.783E-02 0.109E-01
DAV: 4 -0.242921008969E+04 0.54059E-03 -0.13719E-03 2220 0.504E-02 0.727E-02
DAV: 5 -0.242920915755E+04 0.93214E-03 -0.38035E-04 2265 0.647E-02 0.750E-02
DAV: 6 -0.242920913222E+04 0.25324E-04 -0.61904E-04 1941 0.235E-02 0.740E-02
DAV: 7 -0.242920918524E+04 -0.53013E-04 -0.28964E-05 1833 0.629E-03 0.797E-02
DAV: 8 -0.242920960192E+04 -0.41668E-03 -0.49082E-05 2058 0.242E-02 0.980E-02
DAV: 9 -0.242921461398E+04 -0.50121E-02 -0.39357E-03 2391 0.259E-01 0.402E-01
DAV: 10 -0.242921100517E+04 0.36088E-02 -0.24645E-03 2148 0.180E-01 0.195E-01
DAV: 11 -0.242921011832E+04 0.88685E-03 -0.11305E-03 2319 0.570E-02 0.137E-01
DAV: 12 -0.242920925120E+04 0.86711E-03 -0.53342E-04 2373 0.679E-02 0.131E-01
DAV: 13 -0.242920330887E+04 0.59423E-02 -0.17602E-03 2427 0.201E-01 0.332E-01
DAV: 14 -0.242920547842E+04 -0.21695E-02 -0.24947E-03 1986 0.630E-02 0.229E-01
DAV: 15 -0.242920536098E+04 0.11744E-03 -0.21215E-04 1959 0.134E-02 0.236E-01
DAV: 16 -0.242920514032E+04 0.22066E-03 -0.96533E-06 1437 0.692E-03 0.245E-01
DAV: 17 -0.242920434191E+04 0.79841E-03 -0.37306E-05 1680 0.203E-02 0.275E-01
DAV: 18 -0.242920435433E+04 -0.12423E-04 -0.40453E-05 1815 0.539E-03 0.270E-01
DAV: 19 -0.242920434647E+04 0.78636E-05 -0.51257E-06 1068 0.342E-03
69 F= -.24292043E+04 E0= -.24292295E+04 d E =0.587412E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920379814E+04 0.55619E-03 -0.34678E-01 1704 0.718E-01 0.321E-01
DAV: 2 -0.242919497814E+04 0.88200E-02 -0.23725E-02 2391 0.222E-01 0.357E-01
DAV: 3 -0.242919255390E+04 0.24242E-02 -0.77554E-03 2040 0.967E-02 0.349E-01
DAV: 4 -0.242919089716E+04 0.16567E-02 -0.11583E-03 2454 0.453E-02 0.392E-01
DAV: 5 -0.242920001097E+04 -0.91138E-02 -0.25052E-03 2571 0.191E-01 0.335E-01
DAV: 6 -0.242920370889E+04 -0.36979E-02 -0.10967E-02 2463 0.179E-01 0.249E-01
DAV: 7 -0.242920666138E+04 -0.29525E-02 -0.47712E-03 2202 0.146E-01 0.266E-01
DAV: 8 -0.242921001041E+04 -0.33490E-02 -0.28866E-03 2337 0.142E-01 0.281E-01
DAV: 9 -0.242921207345E+04 -0.20630E-02 -0.30039E-03 2040 0.859E-02 0.293E-01
DAV: 10 -0.242921202538E+04 0.48071E-04 -0.67960E-04 1950 0.264E-02 0.295E-01
DAV: 11 -0.242921082884E+04 0.11965E-02 -0.35602E-05 1986 0.391E-02 0.286E-01
DAV: 12 -0.242920299182E+04 0.78370E-02 -0.23153E-03 2805 0.261E-01 0.261E-01
DAV: 13 -0.242920492081E+04 -0.19290E-02 -0.36514E-03 2058 0.107E-01 0.230E-01
DAV: 14 -0.242919558135E+04 0.93395E-02 -0.28623E-02 2454 0.403E-01 0.455E-01
DAV: 15 -0.242919552571E+04 0.55638E-04 -0.39083E-02 2157 0.244E-01 0.958E-01
DAV: 16 -0.242919697482E+04 -0.14491E-02 -0.81649E-03 1923 0.901E-02 0.102E+00
DAV: 17 -0.242919641517E+04 0.55965E-03 -0.18882E-04 2094 0.138E-02 0.103E+00
DAV: 18 -0.242919648768E+04 -0.72511E-04 -0.17019E-04 1770 0.325E-02 0.960E-01
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DAV: 92 -0.242919886324E+04 -0.28123E-03 -0.66223E-04 2562 0.707E-02 0.259E-01
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DAV: 103 -0.242920283789E+04 0.27233E-04 -0.48042E-04 1923 0.241E-02 0.359E-01
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DAV: 113 -0.242920049036E+04 0.10175E-03 -0.99332E-05 1977 0.108E-02 0.355E-01
DAV: 114 -0.242920062427E+04 -0.13391E-03 -0.12246E-05 1509 0.112E-02 0.353E-01
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DAV: 116 -0.242920073402E+04 0.57502E-04 -0.10672E-04 2238 0.193E-02 0.353E-01
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DAV: 118 -0.242920037546E+04 0.76173E-03 -0.22908E-03 1968 0.594E-02 0.355E-01
DAV: 119 -0.242920002849E+04 0.34698E-03 -0.19976E-04 2067 0.247E-02 0.360E-01
DAV: 120 -0.242919905263E+04 0.97586E-03 -0.97416E-05 2382 0.408E-02 0.368E-01
DAV: 121 -0.242919865344E+04 0.39919E-03 -0.25983E-04 2022 0.237E-02 0.371E-01
DAV: 122 -0.242920519821E+04 -0.65448E-02 -0.15124E-03 2814 0.234E-01 0.355E-01
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DAV: 124 -0.242920746379E+04 0.21451E-02 -0.20004E-03 2040 0.748E-02 0.426E-01
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DAV: 126 -0.242919889188E+04 0.46375E-02 -0.34048E-03 2589 0.159E-01 0.374E-01
DAV: 127 -0.242920244639E+04 -0.35545E-02 -0.32219E-03 2292 0.141E-01 0.323E-01
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DAV: 137 -0.242920348942E+04 0.41580E-02 -0.15355E-03 2526 0.150E-01 0.312E-01
DAV: 138 -0.242920389450E+04 -0.40508E-03 -0.88944E-04 1968 0.302E-02 0.319E-01
DAV: 139 -0.242920434360E+04 -0.44910E-03 -0.63641E-05 2040 0.168E-02 0.325E-01
DAV: 140 -0.242920441818E+04 -0.74575E-04 -0.32391E-05 1725 0.693E-03 0.329E-01
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DAV: 142 -0.242920561796E+04 -0.12483E-02 -0.68015E-05 2004 0.425E-02 0.327E-01
DAV: 143 -0.242920537692E+04 0.24103E-03 -0.57266E-05 1851 0.989E-03 0.334E-01
DAV: 144 -0.242920345821E+04 0.19187E-02 -0.14260E-04 2373 0.630E-02 0.331E-01
DAV: 145 -0.242920292565E+04 0.53256E-03 -0.42966E-04 2004 0.361E-02 0.325E-01
DAV: 146 -0.242920323347E+04 -0.30782E-03 -0.17088E-04 2022 0.187E-02 0.318E-01
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DAV: 149 -0.242920113648E+04 0.15401E-02 -0.27284E-04 2472 0.576E-02 0.344E-01
DAV: 150 -0.242920134087E+04 -0.20438E-03 -0.25231E-04 1932 0.152E-02 0.338E-01
DAV: 151 -0.242920081740E+04 0.52347E-03 -0.15132E-05 1554 0.173E-02 0.341E-01
DAV: 152 -0.242920156699E+04 -0.74960E-03 -0.28129E-05 1806 0.272E-02 0.344E-01
DAV: 153 -0.242920121848E+04 0.34852E-03 -0.91972E-05 2031 0.167E-02 0.351E-01
DAV: 154 -0.242920095411E+04 0.26437E-03 -0.19886E-05 1482 0.104E-02 0.352E-01
DAV: 155 -0.242920109347E+04 -0.13936E-03 -0.14992E-05 1455 0.117E-02 0.347E-01
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DAV: 157 -0.242920717010E+04 -0.60170E-02 -0.25956E-03 2760 0.253E-01 0.299E-01
DAV: 158 -0.242920681866E+04 0.35144E-03 -0.33085E-03 1932 0.523E-02 0.335E-01
DAV: 159 -0.242920689543E+04 -0.76771E-04 -0.13658E-04 2103 0.122E-02 0.328E-01
DAV: 160 -0.242920691032E+04 -0.14889E-04 -0.47255E-06 1176 0.242E-03 0.329E-01
DAV: 161 -0.242920683305E+04 0.77266E-04 -0.12809E-06 1050 0.285E-03 0.327E-01
DAV: 162 -0.242920761034E+04 -0.77729E-03 -0.73899E-05 2238 0.309E-02 0.331E-01
DAV: 163 -0.242920764599E+04 -0.35646E-04 -0.65015E-05 1914 0.771E-03 0.334E-01
DAV: 164 -0.242920735910E+04 0.28689E-03 -0.34795E-06 1419 0.962E-03 0.335E-01
DAV: 165 -0.242920589939E+04 0.14597E-02 -0.10115E-04 2292 0.443E-02 0.329E-01
DAV: 166 -0.242920391000E+04 0.19894E-02 -0.47859E-04 2454 0.658E-02 0.316E-01
DAV: 167 -0.242920285453E+04 0.10555E-02 -0.53028E-04 2184 0.497E-02 0.311E-01
DAV: 168 -0.242920122394E+04 0.16306E-02 -0.24081E-04 2796 0.707E-02 0.321E-01
DAV: 169 -0.242920102443E+04 0.19950E-03 -0.75977E-04 1986 0.285E-02 0.305E-01
DAV: 170 -0.242920128059E+04 -0.25615E-03 -0.23882E-05 1689 0.133E-02 0.300E-01
DAV: 171 -0.242920122542E+04 0.55162E-04 -0.11076E-04 2013 0.147E-02 0.313E-01
DAV: 172 -0.242918365887E+04 0.17567E-01 -0.53382E-03 2886 0.413E-01 0.553E-01
DAV: 173 -0.242919962076E+04 -0.15962E-01 -0.39223E-03 2733 0.372E-01 0.285E-01
DAV: 174 -0.242920271760E+04 -0.30968E-02 -0.28102E-03 2382 0.103E-01 0.279E-01
DAV: 175 -0.242920560646E+04 -0.28889E-02 -0.10427E-03 2562 0.106E-01 0.279E-01
DAV: 176 -0.242920825965E+04 -0.26532E-02 -0.15298E-03 2355 0.917E-02 0.308E-01
DAV: 177 -0.242920804851E+04 0.21115E-03 -0.10203E-03 1905 0.329E-02 0.338E-01
DAV: 178 -0.242920805137E+04 -0.28627E-05 -0.19430E-05 1617 0.464E-03
70 F= -.24292081E+04 E0= -.24292322E+04 d E =0.216922E-02
N E dE d eps ncg rms rms(c)
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DAV: 2 -0.242920198548E+04 0.63336E-02 -0.11424E-02 2967 0.223E-01 0.225E-01
DAV: 3 -0.242919932782E+04 0.26577E-02 -0.18446E-02 2085 0.164E-01 0.271E-01
DAV: 4 -0.242919510437E+04 0.42234E-02 -0.65930E-03 2292 0.136E-01 0.191E-01
DAV: 5 -0.242920216344E+04 -0.70591E-02 -0.35477E-03 2310 0.222E-01 0.167E-01
DAV: 6 -0.242921935073E+04 -0.17187E-01 -0.23033E-02 2769 0.543E-01 0.320E-01
DAV: 7 -0.242920383549E+04 0.15515E-01 -0.14155E-02 2346 0.435E-01 0.227E-01
DAV: 8 -0.242919337768E+04 0.10458E-01 -0.16685E-02 2886 0.349E-01 0.254E-01
DAV: 9 -0.242918130865E+04 0.12069E-01 -0.10928E-02 2436 0.277E-01 0.385E-01
DAV: 10 -0.242919528399E+04 -0.13975E-01 -0.12163E-02 2400 0.289E-01 0.209E-01
DAV: 11 -0.242919284970E+04 0.24343E-02 -0.27352E-03 1941 0.830E-02 0.255E-01
DAV: 12 -0.242919256092E+04 0.28877E-03 -0.49674E-04 2049 0.244E-02 0.258E-01
DAV: 13 -0.242920066917E+04 -0.81083E-02 -0.21208E-03 2841 0.267E-01 0.163E-01
DAV: 14 -0.242920728225E+04 -0.66131E-02 -0.11206E-02 2427 0.243E-01 0.219E-01
DAV: 15 -0.242921406082E+04 -0.67786E-02 -0.11414E-02 2202 0.207E-01 0.348E-01
DAV: 16 -0.242921701736E+04 -0.29565E-02 -0.43983E-03 2049 0.954E-02 0.411E-01
DAV: 17 -0.242921554794E+04 0.14694E-02 -0.23113E-04 2121 0.362E-02 0.401E-01
DAV: 18 -0.242921357170E+04 0.19762E-02 -0.37709E-04 2499 0.502E-02 0.363E-01
DAV: 19 -0.242921384920E+04 -0.27750E-03 -0.42083E-04 1905 0.209E-02 0.340E-01
DAV: 20 -0.242921642517E+04 -0.25760E-02 -0.13118E-04 2256 0.607E-02 0.353E-01
DAV: 21 -0.242921816036E+04 -0.17352E-02 -0.35650E-04 2139 0.411E-02 0.364E-01
DAV: 22 -0.242921076361E+04 0.73967E-02 -0.92939E-04 2517 0.171E-01 0.326E-01
DAV: 23 -0.242919984140E+04 0.10922E-01 -0.70899E-03 2715 0.328E-01 0.279E-01
DAV: 24 -0.242919775427E+04 0.20871E-02 -0.12371E-02 2004 0.139E-01 0.237E-01
DAV: 25 -0.242919589521E+04 0.18591E-02 -0.17705E-03 2391 0.797E-02 0.243E-01
DAV: 26 -0.242919386778E+04 0.20274E-02 -0.32744E-04 2355 0.610E-02 0.275E-01
DAV: 27 -0.242919862139E+04 -0.47536E-02 -0.89133E-04 2364 0.142E-01 0.186E-01
DAV: 28 -0.242920097373E+04 -0.23523E-02 -0.14866E-03 2301 0.841E-02 0.173E-01
DAV: 29 -0.242920327510E+04 -0.23014E-02 -0.10134E-03 2400 0.920E-02 0.176E-01
DAV: 30 -0.242920436805E+04 -0.10930E-02 -0.13726E-03 2040 0.530E-02 0.194E-01
DAV: 31 -0.242920421120E+04 0.15685E-03 -0.13091E-04 2040 0.125E-02 0.196E-01
DAV: 32 -0.242920426510E+04 -0.53904E-04 -0.80359E-06 1131 0.369E-03 0.194E-01
DAV: 33 -0.242920578048E+04 -0.15154E-02 -0.96319E-05 2175 0.505E-02 0.194E-01
DAV: 34 -0.242920437397E+04 0.14065E-02 -0.54227E-05 1914 0.470E-02 0.193E-01
DAV: 35 -0.242920443253E+04 -0.58567E-04 -0.12927E-05 1473 0.418E-03 0.192E-01
DAV: 36 -0.242920437754E+04 0.54995E-04 -0.28601E-06 1167 0.247E-03 0.193E-01
DAV: 37 -0.242920380518E+04 0.57236E-03 -0.16553E-05 1626 0.220E-02 0.191E-01
DAV: 38 -0.242920403762E+04 -0.23244E-03 -0.16640E-05 1554 0.879E-03 0.189E-01
DAV: 39 -0.242920379338E+04 0.24424E-03 -0.49427E-06 1338 0.882E-03 0.190E-01
DAV: 40 -0.242920376221E+04 0.31164E-04 -0.10326E-05 1131 0.291E-03 0.188E-01
DAV: 41 -0.242920398672E+04 -0.22450E-03 -0.13752E-06 1338 0.799E-03 0.188E-01
DAV: 42 -0.242920396970E+04 0.17019E-04 -0.34873E-06 915 0.186E-03 0.189E-01
DAV: 43 -0.242920465658E+04 -0.68688E-03 -0.24037E-05 1662 0.257E-02 0.189E-01
DAV: 44 -0.242920625081E+04 -0.15942E-02 -0.26770E-04 2418 0.602E-02 0.194E-01
DAV: 45 -0.242920552440E+04 0.72641E-03 -0.16285E-04 2004 0.264E-02 0.196E-01
DAV: 46 -0.242920516989E+04 0.35450E-03 -0.27176E-05 1743 0.146E-02 0.195E-01
DAV: 47 -0.242920406493E+04 0.11050E-02 -0.46667E-05 2031 0.368E-02 0.193E-01
DAV: 48 -0.242920383404E+04 0.23089E-03 -0.12495E-04 1896 0.129E-02 0.188E-01
DAV: 49 -0.242920417203E+04 -0.33799E-03 -0.20255E-05 1545 0.119E-02 0.187E-01
DAV: 50 -0.242920443489E+04 -0.26286E-03 -0.18927E-05 1536 0.109E-02 0.188E-01
DAV: 51 -0.242920457913E+04 -0.14424E-03 -0.11174E-05 1374 0.856E-03 0.189E-01
DAV: 52 -0.242919820685E+04 0.63723E-02 -0.16531E-03 2913 0.233E-01 0.220E-01
DAV: 53 -0.242919849128E+04 -0.28443E-03 -0.33957E-03 1914 0.429E-02 0.210E-01
DAV: 54 -0.242919857629E+04 -0.85012E-04 -0.48772E-05 1941 0.728E-03 0.210E-01
DAV: 55 -0.242919937281E+04 -0.79652E-03 -0.11641E-05 1644 0.289E-02 0.202E-01
DAV: 56 -0.242920131906E+04 -0.19462E-02 -0.49429E-04 2643 0.798E-02 0.195E-01
DAV: 57 -0.242919820442E+04 0.31146E-02 -0.76498E-04 2337 0.108E-01 0.222E-01
DAV: 58 -0.242919822551E+04 -0.21098E-04 -0.25420E-04 1995 0.123E-02 0.214E-01
DAV: 59 -0.242919793986E+04 0.28566E-03 -0.57027E-06 1500 0.976E-03 0.216E-01
DAV: 60 -0.242919752028E+04 0.41958E-03 -0.19204E-05 1626 0.150E-02 0.221E-01
DAV: 61 -0.242919764123E+04 -0.12095E-03 -0.17978E-05 1428 0.541E-03 0.218E-01
DAV: 62 -0.242919847178E+04 -0.83056E-03 -0.17475E-04 2175 0.393E-02 0.192E-01
DAV: 63 -0.242919961739E+04 -0.11456E-02 -0.16532E-04 2337 0.426E-02 0.181E-01
DAV: 64 -0.242919926586E+04 0.35153E-03 -0.10664E-04 1986 0.181E-02 0.186E-01
DAV: 65 -0.242919809950E+04 0.11664E-02 -0.84986E-05 2292 0.422E-02 0.200E-01
DAV: 66 -0.242919822068E+04 -0.12117E-03 -0.10016E-04 1905 0.907E-03 0.196E-01
DAV: 67 -0.242919695514E+04 0.12655E-02 -0.33417E-04 2112 0.354E-02 0.217E-01
DAV: 68 -0.242920269418E+04 -0.57390E-02 -0.17449E-03 3021 0.224E-01 0.196E-01
DAV: 69 -0.242920372889E+04 -0.10347E-02 -0.37345E-03 1968 0.567E-02 0.238E-01
DAV: 70 -0.242920388915E+04 -0.16026E-03 -0.12078E-04 2094 0.139E-02 0.236E-01
DAV: 71 -0.242920386804E+04 0.21109E-04 -0.69308E-06 1293 0.281E-03 0.238E-01
DAV: 72 -0.242918801793E+04 0.15850E-01 -0.72725E-03 2895 0.438E-01 0.394E-01
DAV: 73 -0.242919812319E+04 -0.10105E-01 -0.39895E-03 2301 0.236E-01 0.198E-01
DAV: 74 -0.242920223889E+04 -0.41157E-02 -0.18628E-03 2886 0.145E-01 0.178E-01
DAV: 75 -0.242920457177E+04 -0.23329E-02 -0.15178E-03 2310 0.882E-02 0.191E-01
DAV: 76 -0.242920471778E+04 -0.14601E-03 -0.70807E-04 1941 0.298E-02 0.195E-01
DAV: 77 -0.242920540338E+04 -0.68560E-03 -0.33463E-05 1851 0.237E-02 0.196E-01
DAV: 78 -0.242920653516E+04 -0.11318E-02 -0.13333E-04 2382 0.393E-02 0.201E-01
DAV: 79 -0.242920690396E+04 -0.36881E-03 -0.23436E-04 2013 0.187E-02 0.210E-01
DAV: 80 -0.242920700244E+04 -0.98479E-04 -0.23544E-05 1509 0.640E-03 0.212E-01
DAV: 81 -0.242920697371E+04 0.28729E-04 -0.27692E-06 1032 0.196E-03 0.212E-01
DAV: 82 -0.242920834201E+04 -0.13683E-02 -0.88484E-05 2337 0.493E-02 0.224E-01
DAV: 83 -0.242920851818E+04 -0.17617E-03 -0.22924E-04 1950 0.138E-02 0.236E-01
DAV: 84 -0.242920874976E+04 -0.23158E-03 -0.29378E-06 1473 0.780E-03 0.238E-01
DAV: 85 -0.242920846520E+04 0.28456E-03 -0.61872E-06 1419 0.887E-03 0.237E-01
DAV: 86 -0.242920783602E+04 0.62918E-03 -0.17946E-05 1563 0.196E-02 0.232E-01
DAV: 87 -0.242920838314E+04 -0.54712E-03 -0.16249E-04 2553 0.379E-02 0.233E-01
DAV: 88 -0.242920840321E+04 -0.20073E-04 -0.14094E-04 1923 0.111E-02 0.238E-01
DAV: 89 -0.242920848495E+04 -0.81733E-04 -0.12492E-06 1176 0.283E-03 0.238E-01
DAV: 90 -0.242920804172E+04 0.44323E-03 -0.39529E-06 1446 0.136E-02 0.234E-01
DAV: 91 -0.242920695310E+04 0.10886E-02 -0.10475E-04 2265 0.361E-02 0.224E-01
DAV: 92 -0.242920948619E+04 -0.25331E-02 -0.21197E-04 2436 0.766E-02 0.237E-01
DAV: 93 -0.242920947889E+04 0.73023E-05 -0.15266E-04 1896 0.890E-03 0.241E-01
DAV: 94 -0.242920935391E+04 0.12498E-03 -0.27988E-06 1320 0.509E-03 0.240E-01
DAV: 95 -0.242920919374E+04 0.16017E-03 -0.16970E-06 1230 0.615E-03 0.239E-01
DAV: 96 -0.242920939633E+04 -0.20258E-03 -0.17174E-06 1230 0.655E-03 0.239E-01
DAV: 97 -0.242920663034E+04 0.27660E-02 -0.41443E-04 2823 0.105E-01 0.220E-01
DAV: 98 -0.242920649072E+04 0.13963E-03 -0.74084E-04 1959 0.228E-02 0.209E-01
DAV: 99 -0.242920634260E+04 0.14812E-03 -0.15559E-05 1608 0.917E-03 0.209E-01
DAV: 100 -0.242920602822E+04 0.31438E-03 -0.23766E-05 1734 0.133E-02 0.209E-01
DAV: 101 -0.242920603123E+04 -0.30042E-05 -0.24255E-05 1491 0.510E-03
71 F= -.24292060E+04 E0= -.24292308E+04 d E =0.418936E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242921035922E+04 -0.43310E-02 -0.17398E-03 2319 0.150E-01 0.246E-01
DAV: 2 -0.242920477571E+04 0.55835E-02 -0.56318E-03 2607 0.178E-01 0.194E-01
DAV: 3 -0.242920186600E+04 0.29097E-02 -0.10474E-02 2490 0.133E-01 0.207E-01
DAV: 4 -0.242919435705E+04 0.75090E-02 -0.61765E-03 2625 0.243E-01 0.204E-01
DAV: 5 -0.242921552644E+04 -0.21169E-01 -0.14085E-02 2742 0.676E-01 0.255E-01
DAV: 6 -0.242920659144E+04 0.89350E-02 -0.50466E-03 2607 0.277E-01 0.187E-01
DAV: 7 -0.242920040381E+04 0.61876E-02 -0.38876E-03 2985 0.237E-01 0.164E-01
DAV: 8 -0.242919172281E+04 0.86810E-02 -0.69630E-03 2535 0.270E-01 0.294E-01
DAV: 9 -0.242918222838E+04 0.94944E-02 -0.98235E-03 2193 0.213E-01 0.415E-01
DAV: 10 -0.242918014372E+04 0.20847E-02 -0.66341E-03 1995 0.949E-02 0.425E-01
DAV: 11 -0.242918125251E+04 -0.11088E-02 -0.18304E-04 2094 0.241E-02 0.419E-01
DAV: 12 -0.242918128910E+04 -0.36593E-04 -0.43754E-05 1806 0.702E-03 0.419E-01
DAV: 13 -0.242918247410E+04 -0.11850E-02 -0.34485E-05 1536 0.191E-02 0.410E-01
DAV: 14 -0.242918403555E+04 -0.15615E-02 -0.13805E-04 2175 0.285E-02 0.396E-01
DAV: 15 -0.242917743212E+04 0.66034E-02 -0.78168E-04 2553 0.105E-01 0.443E-01
DAV: 16 -0.242917750166E+04 -0.69543E-04 -0.44479E-04 1923 0.145E-02 0.442E-01
DAV: 17 -0.242918002174E+04 -0.25201E-02 -0.29111E-04 2202 0.424E-02 0.431E-01
DAV: 18 -0.242919630950E+04 -0.16288E-01 -0.10265E-02 2859 0.353E-01 0.331E-01
DAV: 19 -0.242920293727E+04 -0.66278E-02 -0.14257E-02 2283 0.230E-01 0.407E-01
DAV: 20 -0.242920419914E+04 -0.12619E-02 -0.69670E-03 1923 0.830E-02 0.338E-01
DAV: 21 -0.242920407678E+04 0.12237E-03 -0.94013E-05 2067 0.113E-02 0.331E-01
DAV: 22 -0.242920686396E+04 -0.27872E-02 -0.63154E-04 2850 0.119E-01 0.282E-01
DAV: 23 -0.242920642349E+04 0.44047E-03 -0.24850E-03 1923 0.477E-02 0.189E-01
DAV: 24 -0.242920952068E+04 -0.30972E-02 -0.56125E-04 2796 0.104E-01 0.220E-01
DAV: 25 -0.242921151787E+04 -0.19972E-02 -0.91582E-04 2094 0.623E-02 0.235E-01
DAV: 26 -0.242921156669E+04 -0.48817E-04 -0.55960E-04 1905 0.235E-02 0.244E-01
DAV: 27 -0.242921233662E+04 -0.76993E-03 -0.21636E-05 1653 0.210E-02 0.248E-01
DAV: 28 -0.242920682484E+04 0.55118E-02 -0.66101E-04 2490 0.154E-01 0.241E-01
DAV: 29 -0.242920526326E+04 0.15616E-02 -0.18479E-03 2040 0.630E-02 0.235E-01
DAV: 30 -0.242920545824E+04 -0.19498E-03 -0.69117E-04 1869 0.268E-02 0.199E-01
DAV: 31 -0.242920606296E+04 -0.60473E-03 -0.76031E-05 1968 0.205E-02 0.194E-01
DAV: 32 -0.242920485111E+04 0.12118E-02 -0.14625E-04 2490 0.508E-02 0.206E-01
DAV: 33 -0.242920467880E+04 0.17232E-03 -0.25852E-04 2022 0.167E-02 0.207E-01
DAV: 34 -0.242920455864E+04 0.12016E-03 -0.16020E-05 1491 0.742E-03 0.213E-01
DAV: 35 -0.242920475637E+04 -0.19772E-03 -0.60300E-06 1338 0.731E-03 0.213E-01
DAV: 36 -0.242920747345E+04 -0.27171E-02 -0.30173E-04 2481 0.925E-02 0.224E-01
DAV: 37 -0.242920911236E+04 -0.16389E-02 -0.73789E-04 2094 0.527E-02 0.247E-01
DAV: 38 -0.242920932580E+04 -0.21345E-03 -0.56163E-04 1941 0.250E-02 0.230E-01
DAV: 39 -0.242920943035E+04 -0.10455E-03 -0.10034E-05 1509 0.465E-03 0.231E-01
DAV: 40 -0.242920941594E+04 0.14410E-04 -0.23927E-06 1041 0.165E-03 0.231E-01
DAV: 41 -0.242920942573E+04 -0.97909E-05 -0.69033E-07 987 0.110E-03
72 F= -.24292094E+04 E0= -.24292331E+04 d E =0.794854E-03
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920975048E+04 -0.33454E-03 -0.24102E-04 1959 0.228E-02 0.234E-01
DAV: 2 -0.242920473934E+04 0.50111E-02 -0.43871E-03 2724 0.152E-01 0.182E-01
DAV: 3 -0.242920177298E+04 0.29664E-02 -0.86682E-03 2301 0.125E-01 0.203E-01
DAV: 4 -0.242919438902E+04 0.73840E-02 -0.50536E-03 2490 0.226E-01 0.201E-01
DAV: 5 -0.242920772000E+04 -0.13331E-01 -0.70382E-03 2625 0.441E-01 0.165E-01
DAV: 6 -0.242920550564E+04 0.22144E-02 -0.20147E-03 2058 0.989E-02 0.156E-01
DAV: 7 -0.242920668732E+04 -0.11817E-02 -0.21712E-03 1887 0.545E-02 0.209E-01
DAV: 8 -0.242920938336E+04 -0.26960E-02 -0.54674E-04 2850 0.104E-01 0.209E-01
DAV: 9 -0.242920487445E+04 0.45089E-02 -0.80931E-04 2859 0.161E-01 0.203E-01
DAV: 10 -0.242919492963E+04 0.99448E-02 -0.57856E-03 2715 0.308E-01 0.235E-01
DAV: 11 -0.242916487825E+04 0.30051E-01 -0.10014E-02 2688 0.594E-01 0.523E-01
DAV: 12 -0.242916838499E+04 -0.35067E-02 -0.32668E-02 1905 0.153E-01 0.526E-01
DAV: 13 -0.242917142730E+04 -0.30423E-02 -0.38712E-02 2886 0.161E-01 0.913E-01
DAV: 14 -0.242919271885E+04 -0.21292E-01 -0.56847E-01 2976 0.737E-01 0.267E-01
DAV: 15 -0.242919582789E+04 -0.31090E-02 -0.26305E-02 1923 0.116E-01 0.224E-01
DAV: 16 -0.242920541698E+04 -0.95891E-02 -0.47402E-03 2670 0.353E-01 0.206E-01
DAV: 17 -0.242920627411E+04 -0.85713E-03 -0.54932E-03 1995 0.566E-02 0.213E-01
DAV: 18 -0.242920871890E+04 -0.24448E-02 -0.35193E-04 2202 0.707E-02 0.246E-01
DAV: 19 -0.242921025909E+04 -0.15402E-02 -0.47149E-04 2184 0.469E-02 0.262E-01
DAV: 20 -0.242921004400E+04 0.21510E-03 -0.24831E-04 1905 0.165E-02 0.250E-01
DAV: 21 -0.242920914554E+04 0.89846E-03 -0.37195E-05 1869 0.300E-02 0.248E-01
DAV: 22 -0.242921111869E+04 -0.19731E-02 -0.90683E-05 2094 0.545E-02 0.264E-01
DAV: 23 -0.242920263536E+04 0.84833E-02 -0.14294E-03 2571 0.251E-01 0.205E-01
DAV: 24 -0.242920267853E+04 -0.43162E-04 -0.28645E-03 1959 0.378E-02 0.208E-01
DAV: 25 -0.242920211063E+04 0.56790E-03 -0.10332E-04 2400 0.275E-02 0.214E-01
DAV: 26 -0.242920431632E+04 -0.22057E-02 -0.25405E-04 2364 0.752E-02 0.232E-01
DAV: 27 -0.242920384233E+04 0.47400E-03 -0.19628E-04 1860 0.180E-02 0.216E-01
DAV: 28 -0.242920386131E+04 -0.18985E-04 -0.16483E-05 1392 0.425E-03 0.217E-01
DAV: 29 -0.242920385993E+04 0.13800E-05 -0.18577E-06 996 0.141E-03
73 F= -.24292039E+04 E0= -.24292305E+04 d E =0.636066E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920372012E+04 0.14120E-03 -0.34196E-05 1770 0.913E-03 0.215E-01
DAV: 2 -0.242920012101E+04 0.35991E-02 -0.25731E-03 2373 0.103E-01 0.163E-01
DAV: 3 -0.242919704695E+04 0.30741E-02 -0.31492E-03 2238 0.102E-01 0.192E-01
DAV: 4 -0.242919669563E+04 0.35132E-03 -0.14589E-03 1959 0.386E-02 0.191E-01
DAV: 5 -0.242919936543E+04 -0.26698E-02 -0.33874E-04 2238 0.772E-02 0.193E-01
DAV: 6 -0.242920945976E+04 -0.10094E-01 -0.57861E-03 2553 0.351E-01 0.324E-01
DAV: 7 -0.242921966465E+04 -0.10205E-01 -0.15257E-02 2139 0.254E-01 0.464E-01
DAV: 8 -0.242921989936E+04 -0.23471E-03 -0.88374E-03 1914 0.927E-02 0.417E-01
DAV: 9 -0.242921602189E+04 0.38775E-02 -0.38140E-04 2832 0.918E-02 0.374E-01
DAV: 10 -0.242919584393E+04 0.20178E-01 -0.18120E-02 2922 0.613E-01 0.282E-01
DAV: 11 -0.242918804385E+04 0.78001E-02 -0.38054E-02 2049 0.308E-01 0.440E-01
DAV: 12 -0.242919063513E+04 -0.25913E-02 -0.10684E-02 1914 0.110E-01 0.456E-01
DAV: 13 -0.242919044465E+04 0.19048E-03 -0.20153E-04 2085 0.151E-02 0.458E-01
DAV: 14 -0.242919052817E+04 -0.83517E-04 -0.21278E-05 1491 0.527E-03 0.462E-01
DAV: 15 -0.242918774484E+04 0.27833E-02 -0.14936E-03 2049 0.548E-02 0.411E-01
DAV: 16 -0.242918775456E+04 -0.97226E-05 -0.28629E-04 1941 0.182E-02 0.409E-01
DAV: 17 -0.242918782420E+04 -0.69645E-04 -0.34385E-06 1122 0.229E-03 0.409E-01
DAV: 18 -0.242918720523E+04 0.61897E-03 -0.19168E-05 1653 0.898E-03 0.410E-01
DAV: 19 -0.242919224589E+04 -0.50407E-02 -0.75313E-04 2121 0.801E-02 0.408E-01
DAV: 20 -0.242919326027E+04 -0.10144E-02 -0.10714E-03 2049 0.462E-02 0.427E-01
DAV: 21 -0.242919357443E+04 -0.31416E-03 -0.17969E-04 2031 0.169E-02 0.413E-01
DAV: 22 -0.242919526855E+04 -0.16941E-02 -0.87554E-05 2094 0.357E-02 0.432E-01
DAV: 23 -0.242920248125E+04 -0.72127E-02 -0.23232E-03 2166 0.160E-01 0.659E-01
DAV: 24 -0.242919775831E+04 0.47229E-02 -0.13471E-03 2121 0.109E-01 0.498E-01
DAV: 25 -0.242920016019E+04 -0.24019E-02 -0.12712E-04 2094 0.550E-02 0.539E-01
DAV: 26 -0.242919918672E+04 0.97347E-03 -0.44510E-05 2040 0.356E-02 0.548E-01
DAV: 27 -0.242919890022E+04 0.28650E-03 -0.73649E-05 2031 0.146E-02 0.554E-01
DAV: 28 -0.242920195814E+04 -0.30579E-02 -0.35463E-04 2508 0.985E-02 0.542E-01
DAV: 29 -0.242920108560E+04 0.87254E-03 -0.14298E-04 1995 0.384E-02 0.545E-01
DAV: 30 -0.242919984559E+04 0.12400E-02 -0.92212E-05 2400 0.451E-02 0.560E-01
DAV: 31 -0.242920423910E+04 -0.43935E-02 -0.99101E-04 2823 0.203E-01 0.521E-01
DAV: 32 -0.242920776285E+04 -0.35238E-02 -0.85372E-03 2535 0.227E-01 0.412E-01
DAV: 33 -0.242920854628E+04 -0.78343E-03 -0.63693E-03 1896 0.763E-02 0.348E-01
DAV: 34 -0.242920866281E+04 -0.11653E-03 -0.69867E-05 2067 0.889E-03 0.349E-01
DAV: 35 -0.242920863199E+04 0.30823E-04 -0.59776E-06 1149 0.278E-03 0.346E-01
DAV: 36 -0.242920863876E+04 -0.67733E-05 -0.20404E-05 1284 0.677E-03
74 F= -.24292086E+04 E0= -.24292328E+04 d E =0.158183E-02
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242920807421E+04 0.55777E-03 -0.21060E-05 1572 0.159E-02 0.318E-01
DAV: 2 -0.242920320583E+04 0.48684E-02 -0.36467E-03 2526 0.135E-01 0.186E-01
DAV: 3 -0.242919789434E+04 0.53115E-02 -0.70371E-03 2319 0.195E-01 0.220E-01
DAV: 4 -0.242919643723E+04 0.14571E-02 -0.64233E-03 2022 0.908E-02 0.190E-01
DAV: 5 -0.242919996384E+04 -0.35266E-02 -0.99169E-04 2121 0.105E-01 0.202E-01
DAV: 6 -0.242920726682E+04 -0.73030E-02 -0.49477E-03 2643 0.281E-01 0.239E-01
DAV: 7 -0.242920958639E+04 -0.23196E-02 -0.86226E-03 2013 0.918E-02 0.242E-01
DAV: 8 -0.242921188454E+04 -0.22981E-02 -0.11651E-03 2724 0.785E-02 0.274E-01
DAV: 9 -0.242921225501E+04 -0.37047E-03 -0.10839E-03 1941 0.356E-02 0.281E-01
DAV: 10 -0.242920990074E+04 0.23543E-02 -0.29585E-04 2445 0.773E-02 0.287E-01
DAV: 11 -0.242919028179E+04 0.19619E-01 -0.16337E-02 2328 0.612E-01 0.631E-01
DAV: 12 -0.242919115629E+04 -0.87450E-03 -0.19177E-02 1959 0.121E-01 0.690E-01
DAV: 13 -0.242919076049E+04 0.39580E-03 -0.90129E-04 2130 0.347E-02 0.700E-01
DAV: 14 -0.242918691439E+04 0.38461E-02 -0.28424E-04 2301 0.691E-02 0.769E-01
DAV: 15 -0.242919043941E+04 -0.35250E-02 -0.22579E-04 2166 0.634E-02 0.702E-01
DAV: 16 -0.242918891187E+04 0.15275E-02 -0.63633E-05 2031 0.265E-02 0.721E-01
DAV: 17 -0.242918326196E+04 0.56499E-02 -0.11996E-03 2391 0.971E-02 0.723E-01
DAV: 18 -0.242918975053E+04 -0.64886E-02 -0.33184E-03 2139 0.149E-01 0.550E-01
DAV: 19 -0.242918885154E+04 0.89899E-03 -0.86186E-04 2004 0.394E-02 0.563E-01
DAV: 20 -0.242918845060E+04 0.40094E-03 -0.16551E-04 2049 0.161E-02 0.562E-01
DAV: 21 -0.242918970822E+04 -0.12576E-02 -0.56003E-05 1869 0.228E-02 0.546E-01
DAV: 22 -0.242919593578E+04 -0.62276E-02 -0.10067E-03 2418 0.165E-01 0.408E-01
DAV: 23 -0.242920246225E+04 -0.65265E-02 -0.41819E-03 2184 0.240E-01 0.276E-01
DAV: 24 -0.242920155866E+04 0.90360E-03 -0.34480E-03 1941 0.722E-02 0.305E-01
DAV: 25 -0.242920146019E+04 0.98469E-04 -0.25427E-04 2067 0.158E-02 0.307E-01
DAV: 26 -0.242920244198E+04 -0.98179E-03 -0.51764E-05 1869 0.316E-02 0.301E-01
DAV: 27 -0.242920578242E+04 -0.33404E-02 -0.10482E-03 2337 0.107E-01 0.310E-01
DAV: 28 -0.242920564268E+04 0.13974E-03 -0.91368E-04 1950 0.348E-02 0.340E-01
DAV: 29 -0.242920572573E+04 -0.83050E-04 -0.11098E-04 2076 0.110E-02 0.342E-01
DAV: 30 -0.242920713120E+04 -0.14055E-02 -0.11272E-04 2247 0.455E-02 0.342E-01
DAV: 31 -0.242920547620E+04 0.16550E-02 -0.88826E-05 2157 0.491E-02 0.335E-01
DAV: 32 -0.242919780588E+04 0.76703E-02 -0.29686E-03 2544 0.218E-01 0.337E-01
DAV: 33 -0.242918238366E+04 0.15422E-01 0.26138E-03 2346 0.341E-01 0.500E-01
DAV: 34 -0.242918306859E+04 -0.68492E-03 -0.11010E-02 1950 0.931E-02 0.447E-01
DAV: 35 -0.242918297072E+04 0.97869E-04 -0.27505E-04 2121 0.174E-02 0.449E-01
DAV: 36 -0.242918258018E+04 0.39054E-03 -0.30555E-05 1491 0.983E-03 0.449E-01
DAV: 37 -0.242918370696E+04 -0.11268E-02 -0.25428E-03 2328 0.594E-02 0.434E-01
DAV: 38 -0.242918345884E+04 0.24812E-03 -0.10137E-03 2346 0.568E-02 0.429E-01
DAV: 39 -0.242918079111E+04 0.26677E-02 -0.52397E-04 2085 0.532E-02 0.465E-01
DAV: 40 -0.242918122125E+04 -0.43014E-03 -0.18192E-04 2004 0.190E-02 0.469E-01
DAV: 41 -0.242918075462E+04 0.46663E-03 -0.32406E-05 1833 0.942E-03 0.473E-01
DAV: 42 -0.242918074892E+04 0.56975E-05 -0.72115E-06 1122 0.279E-03
75 F= -.24291807E+04 E0= -.24292324E+04 d E =0.294717E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918243670E+04 -0.16821E-02 -0.96723E-05 1770 0.293E-02 0.457E-01
DAV: 2 -0.242916710757E+04 0.15329E-01 -0.57034E-02 3120 0.347E-01 0.517E-01
DAV: 3 -0.242915832963E+04 0.87779E-02 -0.29513E-02 2058 0.185E-01 0.397E-01
DAV: 4 -0.242916125317E+04 -0.29235E-02 -0.39002E-03 1959 0.738E-02 0.399E-01
DAV: 5 -0.242917193599E+04 -0.10683E-01 -0.54485E-03 3075 0.237E-01 0.297E-01
DAV: 6 -0.242918603481E+04 -0.14099E-01 -0.21306E-02 2688 0.390E-01 0.394E-01
DAV: 7 -0.242919963737E+04 -0.13603E-01 -0.25097E-02 2247 0.339E-01 0.557E-01
DAV: 8 -0.242919409845E+04 0.55389E-02 -0.11944E-02 2031 0.178E-01 0.607E-01
DAV: 9 -0.242919265012E+04 0.14483E-02 -0.18712E-03 2076 0.544E-02 0.572E-01
DAV: 10 -0.242918852794E+04 0.41222E-02 -0.67533E-04 3057 0.104E-01 0.533E-01
DAV: 11 -0.242917868303E+04 0.98449E-02 -0.23829E-03 2940 0.236E-01 0.495E-01
DAV: 12 -0.242918718099E+04 -0.84980E-02 -0.44462E-03 2355 0.220E-01 0.429E-01
DAV: 13 -0.242919234332E+04 -0.51623E-02 -0.46706E-03 2742 0.204E-01 0.401E-01
DAV: 14 -0.242920288854E+04 -0.10545E-01 -0.53528E-03 2490 0.298E-01 0.439E-01
DAV: 15 -0.242919042973E+04 0.12459E-01 -0.54597E-03 2283 0.303E-01 0.418E-01
DAV: 16 -0.242916866472E+04 0.21765E-01 -0.16991E-02 2886 0.520E-01 0.450E-01
DAV: 17 -0.242918153987E+04 -0.12875E-01 -0.88188E-03 2130 0.266E-01 0.305E-01
DAV: 18 -0.242919688569E+04 -0.15346E-01 -0.61592E-03 2994 0.466E-01 0.313E-01
DAV: 19 -0.242923557287E+04 -0.38687E-01 -0.39533E-02 2661 0.719E-01 0.567E-01
DAV: 20 -0.242923988762E+04 -0.43147E-02 -0.48630E-02 1923 0.194E-01 0.742E-01
DAV: 21 -0.242923787309E+04 0.20145E-02 -0.64375E-04 2238 0.376E-02 0.738E-01
DAV: 22 -0.242925141401E+04 -0.13541E-01 -0.10513E-03 2796 0.169E-01 0.800E-01
DAV: 23 -0.242925039695E+04 0.10171E-02 -0.14769E-03 1941 0.321E-02 0.825E-01
DAV: 24 -0.242924892954E+04 0.14674E-02 -0.23694E-05 1698 0.188E-02 0.818E-01
DAV: 25 -0.242925090291E+04 -0.19734E-02 -0.22042E-04 2652 0.293E-02 0.843E-01
DAV: 26 -0.242924929950E+04 0.16034E-02 -0.22365E-03 2067 0.654E-02 0.927E-01
DAV: 27 -0.242925973338E+04 -0.10434E-01 -0.17752E-03 2652 0.104E-01 0.103E+00
DAV: 28 -0.242929402884E+04 -0.34295E-01 -0.70788E-03 2949 0.329E-01 0.122E+00
DAV: 29 -0.242928451344E+04 0.95154E-02 -0.72854E-03 1977 0.106E-01 0.126E+00
DAV: 30 -0.242928207228E+04 0.24412E-02 -0.80201E-04 2184 0.538E-02 0.130E+00
DAV: 31 -0.242931651858E+04 -0.34446E-01 -0.46693E-03 3039 0.270E-01 0.150E+00
DAV: 32 -0.242931615159E+04 0.36699E-03 -0.55115E-03 1959 0.679E-02 0.156E+00
DAV: 33 -0.242930838288E+04 0.77687E-02 -0.59013E-04 2265 0.822E-02 0.158E+00
DAV: 34 -0.242928976427E+04 0.18619E-01 -0.75104E-03 2166 0.267E-01 0.173E+00
DAV: 35 -0.242929608742E+04 -0.63232E-02 -0.64568E-03 1986 0.797E-02 0.183E+00
DAV: 36 -0.242929580584E+04 0.28158E-03 -0.32855E-04 2103 0.289E-02 0.185E+00
DAV: 37 -0.242930639798E+04 -0.10592E-01 -0.28508E-04 2589 0.870E-02 0.189E+00
DAV: 38 -0.242931332366E+04 -0.69257E-02 -0.15667E-03 2040 0.527E-02 0.196E+00
DAV: 39 -0.242931302337E+04 0.30029E-03 -0.25067E-04 1887 0.173E-02 0.198E+00
DAV: 40 -0.242931412267E+04 -0.10993E-02 -0.26295E-05 1410 0.594E-03 0.199E+00
DAV: 41 -0.242929077163E+04 0.23351E-01 -0.76205E-03 2058 0.131E-01 0.172E+00
DAV: 42 -0.242926254723E+04 0.28224E-01 -0.53657E-03 2679 0.236E-01 0.153E+00
DAV: 43 -0.242924039732E+04 0.22150E-01 -0.25484E-02 2031 0.249E-01 0.117E+00
DAV: 44 -0.242921145553E+04 0.28942E-01 -0.10053E-02 3039 0.389E-01 0.939E-01
DAV: 45 -0.242920078874E+04 0.10667E-01 -0.24471E-02 2013 0.247E-01 0.719E-01
DAV: 46 -0.242919232850E+04 0.84602E-02 -0.11891E-02 2283 0.225E-01 0.529E-01
DAV: 47 -0.242918631971E+04 0.60088E-02 -0.46275E-03 2130 0.183E-01 0.430E-01
DAV: 48 -0.242918634609E+04 -0.26374E-04 -0.41556E-03 1932 0.723E-02 0.380E-01
DAV: 49 -0.242918366635E+04 0.26797E-02 -0.51794E-04 2985 0.744E-02 0.351E-01
DAV: 50 -0.242918429823E+04 -0.63188E-03 -0.39517E-04 1995 0.244E-02 0.335E-01
DAV: 51 -0.242918413532E+04 0.16291E-03 -0.72428E-05 2049 0.101E-02 0.322E-01
DAV: 52 -0.242918042945E+04 0.37059E-02 -0.24885E-04 2409 0.106E-01 0.367E-01
DAV: 53 -0.242918192819E+04 -0.14987E-02 -0.15298E-03 1932 0.450E-02 0.448E-01
DAV: 54 -0.242918398377E+04 -0.20556E-02 -0.14918E-03 1977 0.481E-02 0.542E-01
DAV: 55 -0.242918551690E+04 -0.15331E-02 -0.42667E-04 2031 0.304E-02 0.598E-01
DAV: 56 -0.242919298030E+04 -0.74634E-02 -0.54578E-04 3003 0.180E-01 0.639E-01
DAV: 57 -0.242921306276E+04 -0.20082E-01 -0.18705E-02 2697 0.367E-01 0.917E-01
DAV: 58 -0.242921934010E+04 -0.62773E-02 -0.17267E-02 2013 0.168E-01 0.107E+00
DAV: 59 -0.242921858740E+04 0.75271E-03 -0.89036E-04 2112 0.524E-02 0.101E+00
DAV: 60 -0.242921828647E+04 0.30093E-03 -0.37881E-04 2067 0.358E-02 0.966E-01
DAV: 61 -0.242921964059E+04 -0.13541E-02 -0.15221E-04 2049 0.376E-02 0.954E-01
DAV: 62 -0.242918463470E+04 0.35006E-01 -0.41576E-02 2985 0.588E-01 0.421E-01
DAV: 63 -0.242918958942E+04 -0.49547E-02 -0.31947E-02 1923 0.176E-01 0.298E-01
DAV: 64 -0.242918942576E+04 0.16365E-03 -0.50204E-04 2112 0.255E-02 0.296E-01
DAV: 65 -0.242918892052E+04 0.50524E-03 -0.12987E-05 1545 0.151E-02 0.301E-01
DAV: 66 -0.242918888015E+04 0.40373E-04 -0.25539E-05 1527 0.533E-03 0.299E-01
DAV: 67 -0.242918358203E+04 0.52981E-02 -0.39813E-04 2886 0.153E-01 0.299E-01
DAV: 68 -0.242918397580E+04 -0.39377E-03 -0.11803E-03 1941 0.267E-02 0.281E-01
DAV: 69 -0.242918490325E+04 -0.92744E-03 -0.76707E-05 2238 0.328E-02 0.285E-01
DAV: 70 -0.242918989270E+04 -0.49895E-02 -0.24285E-03 2841 0.157E-01 0.345E-01
DAV: 71 -0.242919534957E+04 -0.54569E-02 -0.82753E-03 2031 0.152E-01 0.495E-01
DAV: 72 -0.242923369795E+04 -0.38348E-01 -0.54689E-02 2481 0.540E-01 0.114E+00
DAV: 73 -0.242923663093E+04 -0.29330E-02 -0.34150E-02 1896 0.194E-01 0.134E+00
DAV: 74 -0.242923441774E+04 0.22132E-02 -0.29630E-04 2328 0.431E-02 0.135E+00
DAV: 75 -0.242923781081E+04 -0.33931E-02 -0.24661E-04 2094 0.245E-02 0.139E+00
DAV: 76 -0.242924448109E+04 -0.66703E-02 -0.70613E-04 2724 0.676E-02 0.146E+00
DAV: 77 -0.242922619159E+04 0.18289E-01 -0.26372E-03 2868 0.242E-01 0.139E+00
DAV: 78 -0.242922776914E+04 -0.15775E-02 -0.27749E-03 1977 0.494E-02 0.133E+00
DAV: 79 -0.242922734108E+04 0.42806E-03 -0.15370E-04 2157 0.149E-02 0.132E+00
DAV: 80 -0.242922581946E+04 0.15216E-02 -0.15706E-05 1572 0.241E-02 0.131E+00
DAV: 81 -0.242922615864E+04 -0.33918E-03 -0.23078E-05 1563 0.661E-03 0.131E+00
DAV: 82 -0.242921368817E+04 0.12470E-01 -0.84498E-03 1950 0.107E-01 0.998E-01
DAV: 83 -0.242922461666E+04 -0.10928E-01 -0.14943E-03 2895 0.146E-01 0.109E+00
DAV: 84 -0.242922883740E+04 -0.42207E-02 -0.28819E-03 2049 0.843E-02 0.115E+00
DAV: 85 -0.242922817113E+04 0.66628E-03 -0.54511E-04 1905 0.261E-02 0.116E+00
DAV: 86 -0.242922930668E+04 -0.11356E-02 -0.12548E-04 2130 0.397E-02 0.114E+00
DAV: 87 -0.242922547404E+04 0.38326E-02 -0.12890E-04 2769 0.468E-02 0.111E+00
DAV: 88 -0.242923376063E+04 -0.82866E-02 -0.59801E-04 2589 0.126E-01 0.112E+00
DAV: 89 -0.242922958127E+04 0.41794E-02 -0.18633E-04 2166 0.617E-02 0.112E+00
DAV: 90 -0.242922593823E+04 0.36430E-02 -0.18390E-04 2256 0.551E-02 0.111E+00
DAV: 91 -0.242921815239E+04 0.77858E-02 -0.10933E-03 2814 0.124E-01 0.107E+00
DAV: 92 -0.242919064753E+04 0.27505E-01 -0.10502E-02 2823 0.550E-01 0.103E+00
DAV: 93 -0.242919750690E+04 -0.68594E-02 -0.17165E-02 1923 0.121E-01 0.933E-01
DAV: 94 -0.242919874437E+04 -0.12375E-02 -0.11437E-03 2121 0.391E-02 0.999E-01
DAV: 95 -0.242919954374E+04 -0.79937E-03 -0.10765E-04 2040 0.113E-02 0.102E+00
DAV: 96 -0.242920032753E+04 -0.78379E-03 -0.77026E-05 2049 0.131E-02 0.105E+00
DAV: 97 -0.242918510101E+04 0.15227E-01 -0.25409E-03 3138 0.254E-01 0.993E-01
DAV: 98 -0.242918392618E+04 0.11748E-02 -0.62694E-03 1959 0.774E-02 0.921E-01
DAV: 99 -0.242918444506E+04 -0.51888E-03 -0.22256E-04 2103 0.195E-02 0.922E-01
DAV: 100 -0.242918241536E+04 0.20297E-02 -0.20575E-05 2121 0.468E-02 0.945E-01
DAV: 101 -0.242918434923E+04 -0.19339E-02 0.15974E-05 1815 0.333E-02 0.942E-01
DAV: 102 -0.242918445182E+04 -0.10259E-03 -0.16879E-04 2328 0.549E-02 0.882E-01
DAV: 103 -0.242919434977E+04 -0.98979E-02 -0.51422E-04 2841 0.227E-01 0.868E-01
DAV: 104 -0.242920719954E+04 -0.12850E-01 -0.59838E-03 2517 0.351E-01 0.869E-01
DAV: 105 -0.242920514479E+04 0.20548E-02 -0.10054E-02 1950 0.119E-01 0.986E-01
DAV: 106 -0.242920515551E+04 -0.10724E-04 -0.62734E-04 1878 0.321E-02 0.950E-01
DAV: 107 -0.242920213647E+04 0.30190E-02 -0.42058E-03 2094 0.981E-02 0.737E-01
DAV: 108 -0.242920848168E+04 -0.63452E-02 -0.13081E-03 2391 0.152E-01 0.724E-01
DAV: 109 -0.242922605056E+04 -0.17569E-01 -0.59515E-03 2625 0.325E-01 0.769E-01
DAV: 110 -0.242921645618E+04 0.95944E-02 -0.50337E-03 2067 0.167E-01 0.798E-01
DAV: 111 -0.242920131848E+04 0.15138E-01 -0.42961E-03 2985 0.283E-01 0.724E-01
DAV: 112 -0.242916750020E+04 0.33818E-01 -0.26930E-02 2823 0.719E-01 0.697E-01
DAV: 113 -0.242917065328E+04 -0.31531E-02 -0.46643E-02 1923 0.186E-01 0.500E-01
DAV: 114 -0.242916757840E+04 0.30749E-02 -0.12879E-03 3003 0.669E-02 0.489E-01
DAV: 115 -0.242915961549E+04 0.79629E-02 -0.58592E-04 3057 0.138E-01 0.546E-01
DAV: 116 -0.242914764049E+04 0.11975E-01 -0.26822E-03 2553 0.185E-01 0.566E-01
DAV: 117 -0.242918696680E+04 -0.39326E-01 -0.18153E-02 2796 0.893E-01 0.266E-01
DAV: 118 -0.242918383326E+04 0.31335E-02 -0.10647E-02 2112 0.214E-01 0.284E-01
DAV: 119 -0.242917346100E+04 0.10372E-01 -0.29711E-03 2949 0.307E-01 0.363E-01
DAV: 120 -0.242917520280E+04 -0.17418E-02 -0.74134E-03 1896 0.853E-02 0.343E-01
DAV: 121 -0.242917070989E+04 0.44929E-02 -0.25337E-04 2517 0.980E-02 0.386E-01
DAV: 122 -0.242916583444E+04 0.48754E-02 -0.87392E-04 2301 0.934E-02 0.422E-01
DAV: 123 -0.242917533744E+04 -0.95030E-02 -0.75028E-04 2490 0.197E-01 0.317E-01
DAV: 124 -0.242918835098E+04 -0.13014E-01 -0.39505E-03 2796 0.408E-01 0.255E-01
DAV: 125 -0.242920385327E+04 -0.15502E-01 -0.17176E-02 2328 0.394E-01 0.343E-01
DAV: 126 -0.242924222800E+04 -0.38375E-01 -0.22994E-02 2499 0.645E-01 0.527E-01
DAV: 127 -0.242923393973E+04 0.82883E-02 -0.36519E-02 1950 0.232E-01 0.529E-01
DAV: 128 -0.242923312834E+04 0.81138E-03 -0.19202E-03 2058 0.476E-02 0.516E-01
DAV: 129 -0.242923116085E+04 0.19675E-02 -0.64601E-05 2103 0.292E-02 0.507E-01
DAV: 130 -0.242922491003E+04 0.62508E-02 -0.37349E-04 2751 0.894E-02 0.476E-01
DAV: 131 -0.242920433950E+04 0.20571E-01 -0.53743E-03 2787 0.343E-01 0.365E-01
DAV: 132 -0.242919447639E+04 0.98631E-02 -0.13171E-02 2085 0.250E-01 0.291E-01
DAV: 133 -0.242919598969E+04 -0.15133E-02 -0.87786E-03 1905 0.949E-02 0.287E-01
DAV: 134 -0.242919252106E+04 0.34686E-02 -0.25650E-04 2265 0.827E-02 0.268E-01
DAV: 135 -0.242918842734E+04 0.40937E-02 -0.88699E-04 2355 0.103E-01 0.254E-01
DAV: 136 -0.242918439684E+04 0.40305E-02 -0.13597E-03 2256 0.120E-01 0.264E-01
DAV: 137 -0.242916611267E+04 0.18284E-01 -0.35023E-03 2895 0.430E-01 0.422E-01
DAV: 138 -0.242916386533E+04 0.22473E-02 -0.18377E-02 1977 0.131E-01 0.436E-01
DAV: 139 -0.242916477880E+04 -0.91347E-03 -0.93284E-04 2004 0.347E-02 0.446E-01
DAV: 140 -0.242916618662E+04 -0.14078E-02 -0.34012E-05 1833 0.279E-02 0.434E-01
DAV: 141 -0.242916699284E+04 -0.80622E-03 -0.22771E-04 1950 0.241E-02 0.427E-01
DAV: 142 -0.242916973443E+04 -0.27416E-02 -0.26393E-03 2274 0.966E-02 0.412E-01
DAV: 143 -0.242917287970E+04 -0.31453E-02 -0.11805E-03 2031 0.867E-02 0.384E-01
DAV: 144 -0.242916839498E+04 0.44847E-02 -0.87544E-04 2139 0.991E-02 0.431E-01
DAV: 145 -0.242916922356E+04 -0.82858E-03 -0.20578E-04 1959 0.218E-02 0.418E-01
DAV: 146 -0.242917529104E+04 -0.60675E-02 -0.26157E-04 2976 0.142E-01 0.351E-01
DAV: 147 -0.242917659049E+04 -0.12994E-02 -0.22363E-03 1959 0.486E-02 0.374E-01
DAV: 148 -0.242917974800E+04 -0.31575E-02 -0.11552E-03 2724 0.863E-02 0.408E-01
DAV: 149 -0.242917983986E+04 -0.91855E-04 -0.12776E-03 1923 0.378E-02 0.442E-01
DAV: 150 -0.242918041321E+04 -0.57335E-03 -0.28512E-04 2049 0.190E-02 0.481E-01
DAV: 151 -0.242918037324E+04 0.39968E-04 -0.17610E-05 1338 0.492E-03 0.479E-01
DAV: 152 -0.242918900122E+04 -0.86280E-02 -0.53644E-04 3039 0.223E-01 0.475E-01
DAV: 153 -0.242918876178E+04 0.23943E-03 -0.27149E-03 1923 0.417E-02 0.520E-01
DAV: 154 -0.242918863308E+04 0.12870E-03 -0.67105E-05 2049 0.937E-03 0.518E-01
DAV: 155 -0.242918877665E+04 -0.14357E-03 -0.28885E-05 1743 0.823E-03 0.534E-01
DAV: 156 -0.242918698598E+04 0.17907E-02 -0.11557E-04 2328 0.617E-02 0.568E-01
DAV: 157 -0.242920268536E+04 -0.15699E-01 -0.87201E-04 2445 0.455E-01 0.457E-01
DAV: 158 -0.242921571935E+04 -0.13034E-01 -0.17663E-02 2175 0.238E-01 0.607E-01
DAV: 159 -0.242921541203E+04 0.30732E-03 -0.75372E-03 1905 0.897E-02 0.688E-01
DAV: 160 -0.242920970273E+04 0.57093E-02 -0.39708E-04 2616 0.105E-01 0.677E-01
DAV: 161 -0.242921677419E+04 -0.70715E-02 -0.30004E-04 2517 0.124E-01 0.694E-01
DAV: 162 -0.242921455725E+04 0.22169E-02 -0.11352E-02 2058 0.140E-01 0.460E-01
DAV: 163 -0.242922188729E+04 -0.73300E-02 -0.13477E-03 2319 0.122E-01 0.496E-01
DAV: 164 -0.242922783205E+04 -0.59448E-02 -0.27342E-03 2103 0.103E-01 0.561E-01
DAV: 165 -0.242922409087E+04 0.37412E-02 -0.12712E-03 2076 0.642E-02 0.566E-01
DAV: 166 -0.242921085268E+04 0.13238E-01 -0.20774E-03 2778 0.208E-01 0.505E-01
DAV: 167 -0.242916995257E+04 0.40900E-01 -0.27629E-02 2751 0.862E-01 0.484E-01
DAV: 168 -0.242916601334E+04 0.39392E-02 -0.67184E-02 2004 0.292E-01 0.421E-01
DAV: 169 -0.242916510830E+04 0.90504E-03 -0.73803E-03 2058 0.975E-02 0.418E-01
DAV: 170 -0.242916497630E+04 0.13200E-03 -0.18737E-04 2022 0.137E-02 0.414E-01
DAV: 171 -0.242916416582E+04 0.81048E-03 -0.84658E-06 1563 0.165E-02 0.420E-01
DAV: 172 -0.242919298649E+04 -0.28821E-01 -0.64407E-03 2976 0.801E-01 0.287E-01
DAV: 173 -0.242918919767E+04 0.37888E-02 -0.21298E-02 2013 0.219E-01 0.412E-01
DAV: 174 -0.242918521906E+04 0.39786E-02 -0.14255E-03 2463 0.126E-01 0.406E-01
DAV: 175 -0.242917054882E+04 0.14670E-01 -0.33327E-03 2931 0.355E-01 0.485E-01
DAV: 176 -0.242914608526E+04 0.24464E-01 -0.17496E-02 2517 0.435E-01 0.530E-01
DAV: 177 -0.242914508827E+04 0.99700E-03 -0.25510E-02 1932 0.162E-01 0.421E-01
DAV: 178 -0.242914527598E+04 -0.18771E-03 -0.53508E-04 2112 0.247E-02 0.422E-01
DAV: 179 -0.242914703611E+04 -0.17601E-02 -0.40035E-04 1590 0.352E-02 0.429E-01
DAV: 180 -0.242915023961E+04 -0.32035E-02 -0.10186E-03 2373 0.598E-02 0.442E-01
DAV: 181 -0.242914822269E+04 0.20169E-02 -0.67775E-04 2094 0.396E-02 0.453E-01
DAV: 182 -0.242915644743E+04 -0.82247E-02 -0.35966E-03 2580 0.140E-01 0.447E-01
DAV: 183 -0.242915796881E+04 -0.15214E-02 -0.12787E-03 2022 0.357E-02 0.456E-01
DAV: 184 -0.242915396315E+04 0.40057E-02 -0.37927E-04 2382 0.684E-02 0.461E-01
DAV: 185 -0.242915304347E+04 0.91968E-03 -0.75541E-04 1923 0.297E-02 0.437E-01
DAV: 186 -0.242914615185E+04 0.68916E-02 -0.28055E-03 2913 0.128E-01 0.426E-01
DAV: 187 -0.242913951804E+04 0.66338E-02 -0.11644E-02 2634 0.174E-01 0.407E-01
DAV: 188 -0.242913996678E+04 -0.44874E-03 -0.37463E-03 1905 0.581E-02 0.419E-01
DAV: 189 -0.242913993225E+04 0.34531E-04 -0.47782E-05 1914 0.716E-03 0.416E-01
DAV: 190 -0.242913925865E+04 0.67360E-03 -0.66853E-04 1581 0.331E-02 0.435E-01
DAV: 191 -0.242913890968E+04 0.34897E-03 -0.15661E-04 2004 0.152E-02 0.441E-01
DAV: 192 -0.242917800366E+04 -0.39094E-01 -0.22426E-01 2760 0.933E-01 0.323E-01
DAV: 193 -0.242917892296E+04 -0.91931E-03 -0.24935E-02 1959 0.177E-01 0.315E-01
DAV: 194 -0.242917645197E+04 0.24710E-02 -0.33049E-03 2292 0.123E-01 0.398E-01
DAV: 195 -0.242917351497E+04 0.29370E-02 -0.12767E-03 1995 0.921E-02 0.437E-01
DAV: 196 -0.242917080561E+04 0.27094E-02 -0.15492E-03 2049 0.814E-02 0.486E-01
DAV: 197 -0.242916636814E+04 0.44375E-02 -0.12283E-04 2670 0.909E-02 0.499E-01
DAV: 198 -0.242917524525E+04 -0.88771E-02 -0.75346E-04 2778 0.223E-01 0.407E-01
DAV: 199 -0.242917872878E+04 -0.34835E-02 -0.53071E-03 2076 0.121E-01 0.371E-01
DAV: 200 -0.242917946613E+04 -0.73735E-03 -0.18267E-03 1932 0.472E-02
76 F= -.24291795E+04 E0= -.24292299E+04 d E =0.307545E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918007001E+04 -0.13412E-02 -0.13706E-04 2589 0.278E-02 0.316E-01
DAV: 2 -0.242917237961E+04 0.76904E-02 -0.75258E-03 2481 0.163E-01 0.300E-01
DAV: 3 -0.242916870041E+04 0.36792E-02 -0.39405E-03 2040 0.881E-02 0.284E-01
DAV: 4 -0.242917142653E+04 -0.27261E-02 -0.12215E-03 2148 0.632E-02 0.276E-01
DAV: 5 -0.242917832505E+04 -0.68985E-02 -0.49646E-03 2994 0.212E-01 0.241E-01
DAV: 6 -0.242919080852E+04 -0.12483E-01 -0.10347E-02 2724 0.381E-01 0.302E-01
DAV: 7 -0.242920603411E+04 -0.15226E-01 -0.20810E-02 2319 0.372E-01 0.451E-01
DAV: 8 -0.242919197596E+04 0.14058E-01 -0.15289E-02 2103 0.337E-01 0.473E-01
DAV: 9 -0.242916937141E+04 0.22605E-01 -0.23490E-02 2733 0.542E-01 0.424E-01
DAV: 10 -0.242917697892E+04 -0.76075E-02 -0.17331E-02 1968 0.163E-01 0.295E-01
DAV: 11 -0.242917362354E+04 0.33554E-02 -0.95170E-04 1959 0.907E-02 0.326E-01
DAV: 12 -0.242918016733E+04 -0.65438E-02 -0.87367E-04 3102 0.168E-01 0.338E-01
DAV: 13 -0.242918879175E+04 -0.86244E-02 -0.95262E-03 2562 0.223E-01 0.486E-01
DAV: 14 -0.242919164685E+04 -0.28551E-02 -0.69271E-03 2004 0.102E-01 0.590E-01
DAV: 15 -0.242919282008E+04 -0.11732E-02 -0.22609E-04 2355 0.385E-02 0.591E-01
DAV: 16 -0.242919194302E+04 0.87706E-03 -0.12868E-04 2121 0.240E-02 0.599E-01
DAV: 17 -0.242919559827E+04 -0.36553E-02 -0.36906E-05 2508 0.879E-02 0.616E-01
DAV: 18 -0.242920562325E+04 -0.10025E-01 -0.20508E-03 2850 0.238E-01 0.654E-01
DAV: 19 -0.242920956192E+04 -0.39387E-02 -0.65247E-03 2013 0.974E-02 0.736E-01
DAV: 20 -0.242921091664E+04 -0.13547E-02 -0.83120E-04 2076 0.417E-02 0.767E-01
DAV: 21 -0.242921322059E+04 -0.23040E-02 -0.22446E-04 2364 0.409E-02 0.792E-01
DAV: 22 -0.242920836329E+04 0.48573E-02 -0.41421E-04 2418 0.945E-02 0.793E-01
DAV: 23 -0.242919353448E+04 0.14829E-01 -0.36328E-03 2886 0.326E-01 0.751E-01
DAV: 24 -0.242919082225E+04 0.27122E-02 -0.97639E-03 2022 0.123E-01 0.670E-01
DAV: 25 -0.242919103117E+04 -0.20892E-03 -0.14210E-03 1968 0.400E-02 0.637E-01
DAV: 26 -0.242918945319E+04 0.15780E-02 -0.45123E-05 2247 0.395E-02 0.632E-01
DAV: 27 -0.242919146328E+04 -0.20101E-02 -0.26002E-05 2205 0.527E-02 0.626E-01
DAV: 28 -0.242919730805E+04 -0.58448E-02 -0.59563E-04 2787 0.166E-01 0.628E-01
DAV: 29 -0.242919865734E+04 -0.13493E-02 -0.23276E-03 1968 0.472E-02 0.679E-01
DAV: 30 -0.242919825472E+04 0.40262E-03 -0.12024E-04 2040 0.145E-02 0.687E-01
DAV: 31 -0.242919832057E+04 -0.65859E-04 -0.66194E-06 1158 0.280E-03 0.689E-01
DAV: 32 -0.242919649730E+04 0.18233E-02 -0.28710E-05 1986 0.402E-02 0.676E-01
DAV: 33 -0.242919341894E+04 0.30784E-02 -0.39201E-04 2688 0.729E-02 0.654E-01
DAV: 34 -0.242918689749E+04 0.65214E-02 -0.73740E-04 2625 0.167E-01 0.641E-01
DAV: 35 -0.242918384754E+04 0.30499E-02 -0.37411E-03 2049 0.108E-01 0.609E-01
DAV: 36 -0.242918033743E+04 0.35101E-02 -0.75477E-04 2544 0.101E-01 0.606E-01
DAV: 37 -0.242917934786E+04 0.98957E-03 -0.15024E-03 2022 0.516E-02 0.572E-01
DAV: 38 -0.242917940889E+04 -0.61029E-04 -0.62689E-05 1851 0.837E-03 0.567E-01
DAV: 39 -0.242917961020E+04 -0.20131E-03 -0.37569E-07 1131 0.488E-03 0.566E-01
DAV: 40 -0.242918033564E+04 -0.72544E-03 -0.39346E-05 1869 0.185E-02 0.577E-01
DAV: 41 -0.242918052254E+04 -0.18690E-03 -0.17102E-04 2022 0.168E-02 0.603E-01
DAV: 42 -0.242918063379E+04 -0.11125E-03 -0.25399E-05 1428 0.646E-03 0.605E-01
DAV: 43 -0.242918068469E+04 -0.50906E-04 -0.50995E-06 969 0.277E-03 0.609E-01
DAV: 44 -0.242918078239E+04 -0.97695E-04 -0.12303E-06 951 0.249E-03 0.610E-01
DAV: 45 -0.242918210411E+04 -0.13217E-02 -0.36857E-05 1977 0.278E-02 0.621E-01
DAV: 46 -0.242918475044E+04 -0.26463E-02 -0.35248E-04 2742 0.592E-02 0.655E-01
DAV: 47 -0.242917552558E+04 0.92249E-02 -0.35462E-04 2877 0.199E-01 0.660E-01
DAV: 48 -0.242917609940E+04 -0.57382E-03 -0.16243E-03 1950 0.313E-02 0.614E-01
DAV: 49 -0.242917833350E+04 -0.22341E-02 -0.24213E-05 2157 0.500E-02 0.603E-01
DAV: 50 -0.242918146824E+04 -0.31347E-02 -0.32374E-04 2301 0.758E-02 0.592E-01
DAV: 51 -0.242918569165E+04 -0.42234E-02 -0.63940E-04 2454 0.114E-01 0.583E-01
DAV: 52 -0.242918388731E+04 0.18043E-02 -0.97585E-04 2031 0.533E-02 0.607E-01
DAV: 53 -0.242918025465E+04 0.36327E-02 -0.34059E-04 2769 0.866E-02 0.609E-01
DAV: 54 -0.242918132332E+04 -0.10687E-02 -0.22115E-04 1977 0.274E-02 0.587E-01
DAV: 55 -0.242918559623E+04 -0.42729E-02 -0.11282E-04 2850 0.106E-01 0.587E-01
DAV: 56 -0.242918714603E+04 -0.15498E-02 -0.81806E-04 2067 0.513E-02 0.588E-01
DAV: 57 -0.242918213210E+04 0.50139E-02 -0.20203E-04 2427 0.122E-01 0.599E-01
DAV: 58 -0.242918214781E+04 -0.15707E-04 -0.58877E-04 1932 0.175E-02 0.579E-01
DAV: 59 -0.242918189969E+04 0.24812E-03 -0.61464E-06 1518 0.721E-03 0.581E-01
DAV: 60 -0.242918220249E+04 -0.30280E-03 -0.40407E-06 1284 0.804E-03 0.585E-01
DAV: 61 -0.242918494179E+04 -0.27393E-02 -0.11967E-04 2625 0.641E-02 0.595E-01
DAV: 62 -0.242920611450E+04 -0.21173E-01 -0.68175E-03 3138 0.463E-01 0.841E-01
DAV: 63 -0.242920827253E+04 -0.21580E-02 -0.19927E-02 1914 0.124E-01 0.997E-01
DAV: 64 -0.242920816111E+04 0.11142E-03 -0.32793E-04 2175 0.259E-02 0.103E+00
DAV: 65 -0.242920782946E+04 0.33166E-03 -0.51883E-05 1950 0.140E-02 0.103E+00
DAV: 66 -0.242920758483E+04 0.24463E-03 -0.22675E-05 1473 0.785E-03 0.102E+00
DAV: 67 -0.242918663853E+04 0.20946E-01 -0.40423E-03 3102 0.434E-01 0.956E-01
DAV: 68 -0.242919134102E+04 -0.47025E-02 -0.77992E-03 2049 0.137E-01 0.814E-01
DAV: 69 -0.242919292894E+04 -0.15879E-02 -0.67543E-04 2400 0.827E-02 0.757E-01
DAV: 70 -0.242919506380E+04 -0.21349E-02 -0.42681E-04 2220 0.746E-02 0.751E-01
DAV: 71 -0.242919737386E+04 -0.23101E-02 -0.85940E-04 2094 0.644E-02 0.794E-01
DAV: 72 -0.242921626594E+04 -0.18892E-01 -0.26462E-03 2976 0.423E-01 0.882E-01
DAV: 73 -0.242922202044E+04 -0.57545E-02 -0.12870E-02 1995 0.119E-01 0.957E-01
DAV: 74 -0.242921762878E+04 0.43917E-02 -0.10587E-03 2049 0.701E-02 0.961E-01
DAV: 75 -0.242920581798E+04 0.11811E-01 -0.20734E-03 2886 0.209E-01 0.906E-01
DAV: 76 -0.242919824884E+04 0.75691E-02 -0.63079E-03 2409 0.172E-01 0.834E-01
DAV: 77 -0.242918367325E+04 0.14576E-01 -0.32179E-03 2787 0.341E-01 0.752E-01
DAV: 78 -0.242916275134E+04 0.20922E-01 -0.21214E-02 2553 0.466E-01 0.723E-01
DAV: 79 -0.242915617458E+04 0.65768E-02 -0.35517E-02 2049 0.254E-01 0.563E-01
DAV: 80 -0.242915111544E+04 0.50591E-02 -0.23341E-03 2112 0.104E-01 0.547E-01
DAV: 81 -0.242914358637E+04 0.75291E-02 -0.37571E-03 2985 0.149E-01 0.481E-01
DAV: 82 -0.242915391778E+04 -0.10331E-01 -0.18392E-01 3093 0.619E-01 0.115E+00
DAV: 83 -0.242916408501E+04 -0.10167E-01 -0.43590E-02 1968 0.201E-01 0.140E+00
DAV: 84 -0.242916043786E+04 0.36472E-02 -0.11795E-03 2031 0.397E-02 0.137E+00
DAV: 85 -0.242915976969E+04 0.66817E-03 -0.73318E-05 1968 0.102E-02 0.136E+00
DAV: 86 -0.242916163566E+04 -0.18660E-02 -0.11957E-04 1491 0.169E-02 0.139E+00
DAV: 87 -0.242916271459E+04 -0.10789E-02 -0.14825E-04 1995 0.148E-02 0.141E+00
DAV: 88 -0.242917209318E+04 -0.93786E-02 -0.20117E-03 2643 0.701E-02 0.155E+00
DAV: 89 -0.242916782992E+04 0.42633E-02 -0.32094E-04 2022 0.262E-02 0.151E+00
DAV: 90 -0.242914835356E+04 0.19476E-01 -0.91392E-03 3084 0.165E-01 0.115E+00
DAV: 91 -0.242913601480E+04 0.12339E-01 -0.15975E-01 2895 0.423E-01 0.435E-01
DAV: 92 -0.242914544181E+04 -0.94270E-02 -0.30653E-02 2040 0.213E-01 0.425E-01
DAV: 93 -0.242914349362E+04 0.19482E-02 -0.47893E-03 1950 0.818E-02 0.391E-01
DAV: 94 -0.242915243284E+04 -0.89392E-02 -0.59649E-03 3012 0.171E-01 0.406E-01
DAV: 95 -0.242915146799E+04 0.96485E-03 -0.19396E-03 1986 0.390E-02 0.431E-01
DAV: 96 -0.242915320994E+04 -0.17420E-02 -0.11811E-04 2121 0.313E-02 0.431E-01
DAV: 97 -0.242915477231E+04 -0.15624E-02 -0.21819E-03 1941 0.562E-02 0.483E-01
DAV: 98 -0.242915257488E+04 0.21974E-02 -0.31403E-04 2112 0.406E-02 0.502E-01
DAV: 99 -0.242915438062E+04 -0.18057E-02 -0.28062E-04 2499 0.343E-02 0.527E-01
DAV: 100 -0.242915264873E+04 0.17319E-02 -0.23141E-04 2103 0.320E-02 0.545E-01
DAV: 101 -0.242915357940E+04 -0.93067E-03 -0.20389E-05 1554 0.162E-02 0.546E-01
DAV: 102 -0.242913872917E+04 0.14850E-01 -0.69879E-03 3084 0.280E-01 0.453E-01
DAV: 103 -0.242914160862E+04 -0.28794E-02 -0.45947E-03 2022 0.731E-02 0.433E-01
DAV: 104 -0.242914826338E+04 -0.66548E-02 -0.51064E-03 2904 0.132E-01 0.472E-01
DAV: 105 -0.242914935848E+04 -0.10951E-02 -0.94797E-04 1959 0.301E-02 0.490E-01
DAV: 106 -0.242915693500E+04 -0.75765E-02 -0.14601E-03 2706 0.128E-01 0.479E-01
DAV: 107 -0.242915520029E+04 0.17347E-02 -0.46887E-04 2022 0.412E-02 0.482E-01
DAV: 108 -0.242915019331E+04 0.50070E-02 -0.67767E-04 2976 0.911E-02 0.469E-01
DAV: 109 -0.242914991123E+04 0.28208E-03 -0.10421E-03 1932 0.316E-02 0.446E-01
DAV: 110 -0.242915014419E+04 -0.23296E-03 -0.18862E-05 1455 0.643E-03 0.445E-01
DAV: 111 -0.242914813994E+04 0.20043E-02 -0.13382E-04 1887 0.365E-02 0.437E-01
DAV: 112 -0.242914622478E+04 0.19152E-02 -0.33374E-04 2103 0.362E-02 0.445E-01
DAV: 113 -0.242914356218E+04 0.26626E-02 -0.87681E-04 2427 0.578E-02 0.417E-01
DAV: 114 -0.242914248031E+04 0.10819E-02 -0.11066E-03 2022 0.424E-02 0.389E-01
DAV: 115 -0.242914256319E+04 -0.82878E-04 -0.87174E-05 1797 0.985E-03 0.388E-01
DAV: 116 -0.242914349418E+04 -0.93099E-03 -0.13765E-04 1518 0.211E-02 0.393E-01
DAV: 117 -0.242918661725E+04 -0.43123E-01 -0.91448E-02 3084 0.109E+00 0.367E-01
DAV: 118 -0.242919405575E+04 -0.74385E-02 -0.77301E-02 1923 0.219E-01 0.647E-01
DAV: 119 -0.242919334303E+04 0.71272E-03 -0.13820E-03 2220 0.595E-02 0.687E-01
DAV: 120 -0.242918908827E+04 0.42548E-02 -0.46083E-04 2805 0.103E-01 0.649E-01
DAV: 121 -0.242918725550E+04 0.18328E-02 -0.19183E-03 2022 0.621E-02 0.590E-01
DAV: 122 -0.242918872285E+04 -0.14674E-02 -0.47902E-04 2076 0.315E-02 0.626E-01
DAV: 123 -0.242919282558E+04 -0.41027E-02 -0.83454E-05 2742 0.116E-01 0.618E-01
DAV: 124 -0.242919688402E+04 -0.40584E-02 -0.13630E-03 2337 0.111E-01 0.628E-01
DAV: 125 -0.242920159849E+04 -0.47145E-02 -0.17027E-03 2454 0.121E-01 0.666E-01
DAV: 126 -0.242920325848E+04 -0.16600E-02 -0.21821E-03 2013 0.589E-02 0.724E-01
DAV: 127 -0.242920337655E+04 -0.11807E-03 -0.15703E-03 2103 0.761E-02 0.607E-01
DAV: 128 -0.242920407381E+04 -0.69726E-03 -0.57998E-04 2058 0.361E-02 0.581E-01
DAV: 129 -0.242920720230E+04 -0.31285E-02 -0.25165E-04 2652 0.756E-02 0.566E-01
DAV: 130 -0.242920993614E+04 -0.27338E-02 -0.57809E-04 2094 0.625E-02 0.558E-01
DAV: 131 -0.242921321053E+04 -0.32744E-02 -0.46507E-04 2211 0.681E-02 0.568E-01
DAV: 132 -0.242920611241E+04 0.70981E-02 -0.76125E-04 2391 0.126E-01 0.549E-01
DAV: 133 -0.242919649732E+04 0.96151E-02 -0.30421E-03 2796 0.200E-01 0.477E-01
DAV: 134 -0.242919472414E+04 0.17732E-02 -0.47775E-03 2022 0.820E-02 0.405E-01
DAV: 135 -0.242919459558E+04 0.12856E-03 -0.40426E-04 2004 0.230E-02 0.395E-01
DAV: 136 -0.242919463265E+04 -0.37067E-04 -0.95090E-06 1320 0.337E-03 0.393E-01
DAV: 137 -0.242919737989E+04 -0.27472E-02 -0.79031E-05 2256 0.691E-02 0.392E-01
DAV: 138 -0.242919633309E+04 0.10468E-02 -0.80279E-05 1950 0.266E-02 0.400E-01
DAV: 139 -0.242919150630E+04 0.48268E-02 -0.22882E-04 2454 0.122E-01 0.395E-01
DAV: 140 -0.242918587121E+04 0.56351E-02 -0.15155E-03 2301 0.166E-01 0.437E-01
DAV: 141 -0.242918766165E+04 -0.17904E-02 -0.14593E-03 1977 0.555E-02 0.395E-01
DAV: 142 -0.242918237311E+04 0.52885E-02 -0.37512E-04 2661 0.141E-01 0.392E-01
DAV: 143 -0.242918252358E+04 -0.15047E-03 -0.13910E-03 1977 0.293E-02 0.362E-01
DAV: 144 -0.242918260418E+04 -0.80598E-04 -0.21419E-05 1590 0.546E-03 0.367E-01
DAV: 145 -0.242918723262E+04 -0.46284E-02 -0.22875E-04 3021 0.128E-01 0.395E-01
DAV: 146 -0.242918628622E+04 0.94640E-03 -0.79482E-04 2022 0.366E-02 0.426E-01
DAV: 147 -0.242917488281E+04 0.11403E-01 -0.10893E-03 3048 0.285E-01 0.438E-01
DAV: 148 -0.242917592059E+04 -0.10378E-02 -0.49384E-03 1932 0.571E-02 0.353E-01
DAV: 149 -0.242917440296E+04 0.15176E-02 -0.16769E-04 2139 0.407E-02 0.383E-01
DAV: 150 -0.242917302242E+04 0.13805E-02 -0.15098E-04 2166 0.346E-02 0.398E-01
DAV: 151 -0.242917287163E+04 0.15079E-03 -0.24510E-04 1914 0.157E-02 0.379E-01
DAV: 152 -0.242916870642E+04 0.41652E-02 -0.11184E-04 2625 0.882E-02 0.415E-01
DAV: 153 -0.242917294431E+04 -0.42379E-02 -0.26199E-04 2589 0.886E-02 0.352E-01
DAV: 154 -0.242918065921E+04 -0.77149E-02 -0.10562E-03 2508 0.202E-01 0.257E-01
DAV: 155 -0.242918247539E+04 -0.18162E-02 -0.29395E-03 1995 0.581E-02 0.267E-01
DAV: 156 -0.242918320056E+04 -0.72517E-03 -0.33659E-04 2265 0.285E-02 0.271E-01
DAV: 157 -0.242917754180E+04 0.56588E-02 -0.59386E-04 2418 0.148E-01 0.299E-01
DAV: 158 -0.242917755387E+04 -0.12073E-04 -0.11260E-03 1941 0.257E-02 0.281E-01
DAV: 159 -0.242917852680E+04 -0.97293E-03 -0.37195E-05 1869 0.257E-02 0.267E-01
DAV: 160 -0.242918116736E+04 -0.26406E-02 -0.22669E-04 2265 0.706E-02 0.240E-01
DAV: 161 -0.242918236639E+04 -0.11990E-02 -0.55723E-04 2049 0.343E-02 0.241E-01
DAV: 162 -0.242918117853E+04 0.11879E-02 -0.22685E-04 2085 0.352E-02 0.247E-01
DAV: 163 -0.242918508337E+04 -0.39048E-02 -0.50104E-05 2787 0.120E-01 0.238E-01
DAV: 164 -0.242919376679E+04 -0.86834E-02 -0.27140E-03 2823 0.261E-01 0.280E-01
DAV: 165 -0.242919568353E+04 -0.19167E-02 -0.74078E-03 1968 0.827E-02 0.346E-01
DAV: 166 -0.242919428892E+04 0.13946E-02 -0.21875E-04 2094 0.374E-02 0.347E-01
DAV: 167 -0.242919085470E+04 0.34342E-02 -0.56172E-04 2292 0.925E-02 0.372E-01
DAV: 168 -0.242918755892E+04 0.32958E-02 -0.98885E-04 2238 0.937E-02 0.361E-01
DAV: 169 -0.242918336226E+04 0.41967E-02 -0.92896E-04 2391 0.127E-01 0.353E-01
DAV: 170 -0.242918144204E+04 0.19202E-02 -0.23821E-03 2031 0.818E-02 0.324E-01
DAV: 171 -0.242917925076E+04 0.21913E-02 -0.55806E-05 2481 0.664E-02 0.345E-01
DAV: 172 -0.242917826728E+04 0.98348E-03 -0.39334E-04 1995 0.356E-02 0.355E-01
DAV: 173 -0.242917600525E+04 0.22620E-02 -0.10073E-04 2742 0.598E-02 0.374E-01
DAV: 174 -0.242917666019E+04 -0.65493E-03 -0.27510E-04 2013 0.226E-02 0.351E-01
DAV: 175 -0.242917739637E+04 -0.73618E-03 -0.28211E-06 1527 0.196E-02 0.343E-01
DAV: 176 -0.242917603425E+04 0.13621E-02 0.12777E-05 1581 0.342E-02 0.358E-01
DAV: 177 -0.242917628710E+04 -0.25285E-03 -0.38326E-04 2049 0.260E-02 0.404E-01
DAV: 178 -0.242917548203E+04 0.80507E-03 -0.34249E-04 2067 0.342E-02 0.456E-01
DAV: 179 -0.242917588487E+04 -0.40284E-03 -0.12239E-04 1950 0.151E-02 0.467E-01
DAV: 180 -0.242917683783E+04 -0.95297E-03 -0.76149E-06 1608 0.236E-02 0.461E-01
DAV: 181 -0.242917830198E+04 -0.14642E-02 -0.12818E-04 2247 0.380E-02 0.462E-01
DAV: 182 -0.242918132604E+04 -0.30241E-02 -0.10423E-04 2535 0.791E-02 0.451E-01
DAV: 183 -0.242918157015E+04 -0.24412E-03 -0.94830E-04 1887 0.285E-02 0.492E-01
DAV: 184 -0.242918284768E+04 -0.12775E-02 -0.16871E-05 1932 0.314E-02 0.493E-01
DAV: 185 -0.242918418407E+04 -0.13364E-02 -0.15263E-04 2490 0.375E-02 0.499E-01
DAV: 186 -0.242918485117E+04 -0.66710E-03 -0.12913E-04 2103 0.265E-02 0.500E-01
DAV: 187 -0.242918761991E+04 -0.27687E-02 -0.44371E-05 2688 0.798E-02 0.499E-01
DAV: 188 -0.242918768176E+04 -0.61852E-04 -0.43090E-04 1923 0.167E-02 0.515E-01
DAV: 189 -0.242918771986E+04 -0.38097E-04 -0.63571E-06 1446 0.292E-03 0.516E-01
DAV: 190 -0.242918833774E+04 -0.61788E-03 0.18992E-06 1500 0.167E-02 0.516E-01
DAV: 191 -0.242918778626E+04 0.55147E-03 -0.90222E-07 1428 0.114E-02 0.512E-01
DAV: 192 -0.242918717394E+04 0.61232E-03 -0.28588E-06 1536 0.173E-02 0.511E-01
DAV: 193 -0.242918704828E+04 0.12566E-03 -0.32779E-05 1662 0.747E-03 0.508E-01
DAV: 194 -0.242918670450E+04 0.34379E-03 0.92544E-07 1482 0.113E-02 0.511E-01
DAV: 195 -0.242918669042E+04 0.14071E-04 -0.14211E-05 1392 0.642E-03 0.520E-01
DAV: 196 -0.242918564255E+04 0.10479E-02 -0.10136E-05 1842 0.352E-02 0.534E-01
DAV: 197 -0.242918454517E+04 0.10974E-02 -0.13639E-04 2211 0.473E-02 0.569E-01
DAV: 198 -0.242918433537E+04 0.20980E-03 -0.20794E-04 2040 0.195E-02 0.581E-01
DAV: 199 -0.242918406999E+04 0.26539E-03 -0.52884E-06 1509 0.136E-02 0.591E-01
DAV: 200 -0.242918396074E+04 0.10924E-03 -0.30856E-05 1680 0.689E-03
77 F= -.24291840E+04 E0= -.24292331E+04 d E =0.262598E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242918439511E+04 -0.32513E-03 -0.36139E-06 1491 0.151E-02 0.580E-01
DAV: 2 -0.242916860158E+04 0.15794E-01 -0.26808E-02 2841 0.350E-01 0.380E-01
DAV: 3 -0.242915531922E+04 0.13282E-01 -0.26863E-02 2067 0.301E-01 0.417E-01
DAV: 4 -0.242915342996E+04 0.18893E-02 -0.11509E-02 1977 0.121E-01 0.365E-01
DAV: 5 -0.242915239181E+04 0.10381E-02 -0.18132E-03 2049 0.538E-02 0.405E-01
DAV: 6 -0.242916190798E+04 -0.95162E-02 -0.42539E-03 2310 0.125E-01 0.468E-01
DAV: 7 -0.242919218742E+04 -0.30279E-01 -0.99319E-03 2409 0.702E-01 0.669E-01
DAV: 8 -0.242921923319E+04 -0.27046E-01 -0.65357E-02 2355 0.591E-01 0.802E-01
DAV: 9 -0.242919167782E+04 0.27555E-01 -0.41202E-02 2103 0.561E-01 0.455E-01
DAV: 10 -0.242917254758E+04 0.19130E-01 -0.24172E-02 2508 0.453E-01 0.375E-01
DAV: 11 -0.242917601631E+04 -0.34687E-02 -0.12222E-02 1932 0.108E-01 0.379E-01
DAV: 12 -0.242917764351E+04 -0.16272E-02 -0.79696E-03 2301 0.178E-01 0.303E-01
DAV: 13 -0.242918327156E+04 -0.56281E-02 -0.35669E-03 2175 0.178E-01 0.306E-01
DAV: 14 -0.242919420483E+04 -0.10933E-01 -0.58773E-03 2850 0.320E-01 0.426E-01
DAV: 15 -0.242921557688E+04 -0.21372E-01 -0.14714E-02 2472 0.468E-01 0.619E-01
DAV: 16 -0.242919777289E+04 0.17804E-01 -0.19328E-02 2103 0.368E-01 0.634E-01
DAV: 17 -0.242918219184E+04 0.15581E-01 -0.18241E-02 2724 0.376E-01 0.448E-01
DAV: 18 -0.242917748608E+04 0.47058E-02 -0.19314E-02 2049 0.211E-01 0.327E-01
DAV: 19 -0.242915987880E+04 0.17607E-01 -0.34707E-03 3057 0.369E-01 0.446E-01
DAV: 20 -0.242914323017E+04 0.16649E-01 -0.20273E-02 2292 0.331E-01 0.409E-01
DAV: 21 -0.242914616075E+04 -0.29306E-02 -0.14457E-02 1905 0.123E-01 0.422E-01
DAV: 22 -0.242914828717E+04 -0.21264E-02 -0.17075E-03 2472 0.629E-02 0.420E-01
DAV: 23 -0.242914452808E+04 0.37591E-02 -0.85498E-04 2175 0.659E-02 0.414E-01
DAV: 24 -0.242914432090E+04 0.20718E-03 -0.19115E-04 2013 0.126E-02 0.410E-01
DAV: 25 -0.242914387125E+04 0.44965E-03 -0.26448E-05 1446 0.984E-03 0.409E-01
DAV: 26 -0.242914387299E+04 -0.17367E-05 -0.12104E-05 1122 0.351E-03
78 F= -.24291439E+04 E0= -.24292256E+04 d E =0.663476E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242914441670E+04 -0.54545E-03 -0.37037E-05 1383 0.120E-02 0.410E-01
DAV: 2 -0.242913085446E+04 0.13562E-01 -0.20699E-02 2868 0.313E-01 0.322E-01
DAV: 3 -0.242912917232E+04 0.16821E-02 -0.24963E-02 2130 0.153E-01 0.304E-01
DAV: 4 -0.242912762792E+04 0.15444E-02 -0.12635E-02 2220 0.103E-01 0.188E-01
DAV: 5 -0.242912700223E+04 0.62570E-03 -0.35515E-03 2067 0.630E-02 0.107E-01
DAV: 6 -0.242912655412E+04 0.44810E-03 -0.14538E-03 2058 0.512E-02 0.685E-02
DAV: 7 -0.242912629121E+04 0.26292E-03 -0.63326E-04 2094 0.413E-02 0.428E-02
DAV: 8 -0.242912623069E+04 0.60513E-04 -0.37517E-04 2058 0.271E-02 0.333E-02
DAV: 9 -0.242912619500E+04 0.35695E-04 -0.10563E-04 2049 0.159E-02 0.195E-02
DAV: 10 -0.242912616401E+04 0.30984E-04 -0.38981E-05 1689 0.166E-02 0.107E-02
DAV: 11 -0.242912615811E+04 0.59061E-05 -0.48516E-05 1905 0.106E-02
79 F= -.24291262E+04 E0= -.24292166E+04 d E =0.840625E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242912615557E+04 0.84437E-05 -0.97704E-06 1311 0.607E-03 0.617E-03
DAV: 2 -0.242912615468E+04 0.88809E-06 -0.44232E-06 1068 0.317E-03
80 F= -.24291262E+04 E0= -.24292167E+04 d E =0.840659E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242912615401E+04 0.15572E-05 -0.17694E-06 1023 0.210E-03 0.358E-03
DAV: 2 -0.242912615386E+04 0.15294E-06 -0.31575E-06 1068 0.231E-03
81 F= -.24291262E+04 E0= -.24292167E+04 d E =0.840667E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242912615335E+04 0.65868E-06 -0.22852E-06 969 0.148E-03 0.232E-03
DAV: 2 -0.242912615316E+04 0.19686E-06 -0.66418E-07 969 0.116E-03
82 F= -.24291262E+04 E0= -.24292167E+04 d E =0.840674E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242912615305E+04 0.30507E-06 -0.70218E-07 924 0.849E-04 0.179E-03
DAV: 2 -0.242912615300E+04 0.53013E-07 -0.93887E-07 960 0.112E-03
83 F= -.24291262E+04 E0= -.24292167E+04 d E =0.840676E-01
N E dE d eps ncg rms rms(c)
DAV: 1 -0.242912627883E+04 -0.12578E-03 -0.10305E+00 1704 0.124E+00 0.258E-01
DAV: 2 -0.242912833289E+04 -0.20541E-02 -0.24246E-02 1995 0.174E-01 0.177E-01
DAV: 3 -0.242912808667E+04 0.24622E-03 -0.26907E-03 2256 0.566E-02 0.144E-01
DAV: 4 -0.242912789001E+04 0.19665E-03 -0.13254E-03 2247 0.329E-02 0.846E-02
DAV: 5 -0.242912786462E+04 0.25397E-04 -0.91468E-04 2085 0.270E-02 0.569E-02
DAV: 6 -0.242912782789E+04 0.36725E-04 -0.31865E-04 2049 0.181E-02 0.150E-02
DAV: 7 -0.242912783034E+04 -0.24527E-05 -0.43598E-05 1743 0.762E-03
84 F= -.24291278E+04 E0= -.24292185E+04 d E =0.823902E-01