N E dE d eps ncg rms rms(c)
DAV: 1 0.569495431897E+04 0.56950E+04 -0.40056E+05 9177 0.117E+03
DAV: 2 -0.105221564141E+04 -0.67472E+04 -0.65221E+04 11676 0.319E+02
DAV: 3 -0.166387913726E+04 -0.61166E+03 -0.60549E+03 10515 0.102E+02
DAV: 4 -0.167837393989E+04 -0.14495E+02 -0.14442E+02 11073 0.166E+01
DAV: 5 -0.167881573806E+04 -0.44180E+00 -0.44126E+00 11136 0.270E+00 0.672E+01
DAV: 6 -0.157905293181E+04 0.99763E+02 -0.26984E+02 10353 0.225E+01 0.369E+01
DAV: 7 -0.156629897053E+04 0.12754E+02 -0.15252E+02 11082 0.152E+01 0.232E+01
DAV: 8 -0.156086090783E+04 0.54381E+01 -0.75555E+01 11271 0.908E+00 0.127E+01
DAV: 9 -0.156010264484E+04 0.75826E+00 -0.17028E+01 10542 0.459E+00 0.107E+01
DAV: 10 -0.155938149157E+04 0.72115E+00 -0.23911E+01 11352 0.299E+00 0.560E+00
DAV: 11 -0.155928139580E+04 0.10010E+00 -0.47412E+00 10965 0.262E+00 0.555E+00
DAV: 12 -0.155911923165E+04 0.16216E+00 -0.46752E+00 10470 0.131E+00 0.335E+00
DAV: 13 -0.155916631566E+04 -0.47084E-01 -0.36832E+00 11541 0.109E+00 0.824E+00
DAV: 14 -0.155903852058E+04 0.12780E+00 -0.79768E+00 11721 0.100E+00 0.306E+00
DAV: 15 -0.155894461256E+04 0.93908E-01 -0.58346E-01 10542 0.638E-01 0.173E+00
DAV: 16 -0.155902173910E+04 -0.77127E-01 -0.12570E+00 11190 0.579E-01 0.506E+00
DAV: 17 -0.155889879926E+04 0.12294E+00 -0.12630E+00 11271 0.511E-01 0.222E+00
DAV: 18 -0.155885847488E+04 0.40324E-01 -0.10416E-01 10254 0.381E-01 0.125E+00
DAV: 19 -0.155891691072E+04 -0.58436E-01 -0.10743E+00 12090 0.437E-01 0.697E+00
DAV: 20 -0.155884364997E+04 0.73261E-01 -0.16016E+00 9957 0.338E-01 0.212E+00
DAV: 21 -0.155883615845E+04 0.74915E-02 -0.33969E-02 9750 0.257E-01 0.158E+00
DAV: 22 -0.155884243331E+04 -0.62749E-02 -0.13958E-01 11334 0.248E-01 0.321E+00
DAV: 23 -0.155883362570E+04 0.88076E-02 -0.38849E-01 9786 0.178E-01 0.180E+00
DAV: 24 -0.155883710746E+04 -0.34818E-02 -0.13204E-01 9516 0.120E-01 0.317E+00
DAV: 25 -0.155882911756E+04 0.79899E-02 -0.28235E-01 9480 0.126E-01 0.173E+00
DAV: 26 -0.155883185101E+04 -0.27334E-02 -0.12569E-02 9525 0.104E-01 0.111E+00
DAV: 27 -0.155883267743E+04 -0.82642E-03 -0.96972E-04 9984 0.392E-02 0.126E+00
DAV: 28 -0.155882984036E+04 0.28371E-02 -0.94745E-03 10713 0.301E-02 0.983E-01
DAV: 29 -0.155882944215E+04 0.39821E-03 -0.17645E-02 9345 0.524E-02 0.384E-01
DAV: 30 -0.155883069406E+04 -0.12519E-02 -0.13924E-03 9345 0.407E-02 0.592E-01
DAV: 31 -0.155883165000E+04 -0.95594E-03 -0.17871E-02 9741 0.235E-02 0.149E+00
DAV: 32 -0.155883031953E+04 0.13305E-02 -0.11495E-03 9336 0.557E-02 0.154E+00
DAV: 33 -0.155882795011E+04 0.23694E-02 -0.16128E-02 9858 0.258E-02 0.515E-01
DAV: 34 -0.155883080637E+04 -0.28563E-02 -0.11658E-03 9282 0.524E-02 0.351E-01
DAV: 35 -0.155883074528E+04 0.61086E-04 -0.33919E-04 9354 0.138E-02 0.225E-01
DAV: 36 -0.155883091337E+04 -0.16809E-03 -0.59489E-04 6663 0.112E-02 0.461E-01
DAV: 37 -0.155883072308E+04 0.19028E-03 -0.14983E-04 8832 0.142E-02 0.269E-01
DAV: 38 -0.155883082892E+04 -0.10584E-03 -0.23093E-05 6474 0.534E-03 0.341E-01
DAV: 39 -0.155883068263E+04 0.14629E-03 -0.86496E-04 6609 0.632E-03 0.243E-01
DAV: 40 -0.155883091649E+04 -0.23386E-03 -0.54232E-04 8310 0.160E-02 0.246E-01
DAV: 41 -0.155883086006E+04 0.56431E-04 -0.18356E-04 6267 0.975E-03 0.376E-02
DAV: 42 -0.155883095457E+04 -0.94510E-04 -0.90141E-05 5844 0.550E-03 0.202E-01
DAV: 43 -0.155883089413E+04 0.60441E-04 -0.55422E-05 5790 0.567E-03 0.222E-02
DAV: 44 -0.155883090753E+04 -0.13402E-04 -0.33831E-05 5682 0.450E-03 0.107E-01
DAV: 45 -0.155883090628E+04 0.12477E-05 -0.25654E-05 5754 0.507E-03
1 F= -.15588309E+04 E0= -.15588309E+04 d E =0.000000E+00
Linear response reoptimize wavefunctions
DAV: 1 -0.155883091467E+04 -0.83849E-05 -0.34430E-05 9597 0.232E-03
DAV: 2 -0.155883091467E+04 -0.65120E-08 -0.65134E-08 7248 0.390E-04
DAV: 3 -0.155883091468E+04 -0.64756E-09 -0.65187E-09 5997 0.111E-04
Linear response G [H, r] |phi>, progress :
Direction: 1
N E dE d eps ncg rms
RMM: 1 -0.399214171921E+04 -0.39921E+04 -0.64037E+02 23929 0.110E+02
RMM: 2 -0.328055993477E+04 0.71158E+03 -0.54300E+02 15517 0.288E+01
RMM: 3 -0.328926959813E+04 -0.87097E+01 -0.23188E+01 15769 0.528E+00
RMM: 4 -0.328995387816E+04 -0.68428E+00 -0.12693E+00 16339 0.120E+00
RMM: 5 -0.328999074596E+04 -0.36868E-01 -0.12925E-01 16369 0.318E-01
RMM: 6 -0.328999485411E+04 -0.41081E-02 -0.94030E-03 16593 0.860E-02
RMM: 7 -0.328999517592E+04 -0.32182E-03 -0.15898E-03 17241 0.275E-02
RMM: 8 -0.328999521441E+04 -0.38485E-04 -0.29583E-04 18600 0.116E-02
RMM: 9 -0.328999521601E+04 -0.15977E-05 -0.86755E-04 19606 0.812E-03
RMM: 10 -0.328999521526E+04 0.74644E-06 -0.11781E-03 20024 0.731E-03
RMM: 11 -0.328999522601E+04 -0.10746E-04 -0.71044E-04 20269 0.719E-03
RMM: 12 -0.328999521950E+04 0.65082E-05 -0.13945E-03 20640 0.717E-03
Linear response G [H, r] |phi>, progress :
Direction: 2
N E dE d eps ncg rms
RMM: 1 -0.423135510994E+04 -0.42314E+04 -0.23759E+03 24769 0.111E+02
RMM: 2 -0.328147285954E+04 0.94988E+03 -0.60643E+02 15562 0.310E+01
RMM: 3 -0.329185345642E+04 -0.10381E+02 -0.28817E+01 15835 0.577E+00
RMM: 4 -0.329272902320E+04 -0.87557E+00 -0.15007E+00 16338 0.128E+00
RMM: 5 -0.329277256594E+04 -0.43543E-01 -0.15310E-01 16262 0.333E-01
RMM: 6 -0.329277791535E+04 -0.53494E-02 -0.11767E-02 16619 0.904E-02
RMM: 7 -0.329277829352E+04 -0.37817E-03 -0.23415E-03 17335 0.289E-02
RMM: 8 -0.329277835180E+04 -0.58280E-04 -0.17274E-04 18791 0.125E-02
RMM: 9 -0.329277834724E+04 0.45578E-05 -0.49304E-03 19851 0.880E-03
RMM: 10 -0.329277836083E+04 -0.13588E-04 -0.50117E-03 20197 0.793E-03
RMM: 11 -0.329277835604E+04 0.47894E-05 -0.53605E-03 20414 0.780E-03
RMM: 12 -0.329277836178E+04 -0.57429E-05 -0.56605E-03 20865 0.779E-03
Linear response G [H, r] |phi>, progress :
Direction: 3
N E dE d eps ncg rms
RMM: 1 -0.433184678217E+04 -0.43318E+04 -0.31566E+03 24983 0.111E+02
RMM: 2 -0.328216819921E+04 0.10497E+04 -0.62474E+02 15512 0.317E+01
RMM: 3 -0.329273123626E+04 -0.10563E+02 -0.29749E+01 15808 0.590E+00