N E dE d eps ncg rms rms(c)
DAV: 1 0.773707631706E+03 0.77371E+03 -0.85165E+04 85410 0.127E+03
DAV: 2 -0.122983295839E+03 -0.89669E+03 -0.85343E+03103302 0.313E+02
DAV: 3 -0.162209689145E+03 -0.39226E+02 -0.38803E+02102537 0.605E+01
DAV: 4 -0.162548074703E+03 -0.33839E+00 -0.33726E+00103482 0.557E+00
DAV: 5 -0.162551877845E+03 -0.38031E-02 -0.38001E-02100620 0.479E-01 0.466E+01
DAV: 6 -0.134714003137E+03 0.27838E+02 -0.25009E+01 95571 0.205E+01 0.274E+01
DAV: 7 -0.127816205385E+03 0.68978E+01 -0.20831E+01 98991 0.162E+01 0.101E+01
DAV: 8 -0.127763311808E+03 0.52894E-01 -0.12150E+00 98091 0.404E+00 0.362E+00
DAV: 9 -0.127761727092E+03 0.15847E-02 -0.83989E-02101205 0.111E+00 0.733E-01
DAV: 10 -0.127759053135E+03 0.26740E-02 -0.85553E-03 96714 0.351E-01 0.182E-01
DAV: 11 -0.127758929288E+03 0.12385E-03 -0.86813E-04103869 0.117E-01 0.461E-02
DAV: 12 -0.127758923841E+03 0.54476E-05 -0.99981E-05 98496 0.410E-02
1 F= -.12775892E+03 E0= -.12775892E+03 d E =0.000000E+00
Linear response reoptimize wavefunctions
DAV: 1 -0.127758926985E+03 -0.31441E-05 -0.12980E-05103266 0.138E-02
DAV: 2 -0.127758927041E+03 -0.56807E-07 -0.56810E-07 99828 0.246E-03
DAV: 3 -0.127758927042E+03 -0.11642E-09 -0.11393E-09 58833 0.124E-04
Linear response G [H, r] |phi>, progress :
Direction: 1
N E dE d eps ncg rms
RMM: 1 -0.103887427783E+04 -0.10389E+04 0.73222E+02250450 0.129E+02
RMM: 2 -0.639802869901E+03 0.39907E+03 -0.97474E+01138619 0.349E+01
RMM: 3 -0.640115157529E+03 -0.31229E+00 -0.65028E-01149156 0.205E+00
RMM: 4 -0.640123381084E+03 -0.82236E-02 -0.11367E-02157072 0.220E-01
RMM: 5 -0.640123468597E+03 -0.87513E-04 -0.12428E-03157673 0.457E-02
RMM: 6 -0.640123471419E+03 -0.28216E-05 -0.54195E-04158578 0.262E-02
RMM: 7 -0.640123470904E+03 0.51519E-06 -0.52652E-04157442 0.245E-02
RMM: 8 -0.640123470151E+03 0.75290E-06 -0.66205E-04157830 0.243E-02
Linear response G [H, r] |phi>, progress :
Direction: 2
N E dE d eps ncg rms
RMM: 1 -0.103719489220E+04 -0.10372E+04 0.67720E+02250911 0.129E+02
RMM: 2 -0.638118475866E+03 0.39908E+03 -0.97619E+01138619 0.347E+01
RMM: 3 -0.638434033257E+03 -0.31556E+00 -0.70425E-01149319 0.205E+00