./neb0_image02_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.150998549509E+04 0.15100E+04 -0.43521E+04 322 0.697E+02
DAV: 2 0.254333697068E+03 -0.12557E+04 -0.11786E+04 428 0.164E+02
DAV: 3 -0.354424670239E+03 -0.60876E+03 -0.60468E+03 348 0.118E+02
DAV: 4 -0.433203179235E+03 -0.78779E+02 -0.78451E+02 316 0.536E+01
DAV: 5 -0.435064299490E+03 -0.18611E+01 -0.18580E+01 340 0.832E+00 0.426E+01
DAV: 6 -0.389202340838E+03 0.45862E+02 -0.14891E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385749428320E+03 0.34529E+01 -0.12549E+01 340 0.776E+00 0.104E+01
DAV: 8 -0.384343519563E+03 0.14059E+01 -0.27100E+00 332 0.380E+00 0.426E+00
DAV: 9 -0.383772674774E+03 0.57084E+00 -0.67000E-01 324 0.200E+00 0.922E-01
DAV: 10 -0.383722914301E+03 0.49760E-01 -0.11597E-01 348 0.838E-01 0.721E-01
DAV: 11 -0.383701442430E+03 0.21472E-01 -0.66035E-02 316 0.449E-01 0.660E-01
DAV: 12 -0.383680766776E+03 0.20676E-01 -0.80522E-02 324 0.412E-01 0.413E-01
DAV: 13 -0.383665325961E+03 0.15441E-01 -0.27163E-02 324 0.499E-01 0.183E-01
DAV: 14 -0.383669842352E+03 -0.45164E-02 -0.12162E-02 316 0.346E-01 0.176E-01
DAV: 15 -0.383677329957E+03 -0.74876E-02 -0.73883E-03 332 0.163E-01 0.180E-01
DAV: 16 -0.383685469331E+03 -0.81394E-02 -0.81541E-03 284 0.201E-01 0.215E-01
DAV: 17 -0.383697267161E+03 -0.11798E-01 -0.41556E-03 300 0.159E-01 0.104E-01
DAV: 18 -0.383702106000E+03 -0.48388E-02 -0.12613E-03 324 0.110E-01 0.524E-02
DAV: 19 -0.383709231096E+03 -0.71251E-02 -0.85445E-04 308 0.804E-02 0.416E-02
DAV: 20 -0.383715616760E+03 -0.63857E-02 -0.30235E-04 308 0.434E-02 0.226E-02
DAV: 21 -0.383719892298E+03 -0.42755E-02 -0.25382E-04 316 0.338E-02 0.202E-02
DAV: 22 -0.383722044918E+03 -0.21526E-02 -0.97353E-05 308 0.204E-02 0.188E-02
DAV: 23 -0.383723498160E+03 -0.14532E-02 -0.75740E-05 284 0.173E-02 0.919E-03
DAV: 24 -0.383723970081E+03 -0.47192E-03 -0.17449E-05 236 0.104E-02 0.795E-03
DAV: 25 -0.383724355427E+03 -0.38535E-03 -0.18795E-05 236 0.831E-03 0.390E-03
DAV: 26 -0.383724453655E+03 -0.98228E-04 -0.34702E-06 236 0.549E-03 0.264E-03
DAV: 27 -0.383724586455E+03 -0.13280E-03 -0.55789E-06 204 0.586E-03 0.251E-03
DAV: 28 -0.383724634004E+03 -0.47549E-04 -0.19546E-06 228 0.315E-03 0.161E-03
DAV: 29 -0.383724662082E+03 -0.28079E-04 -0.19996E-06 212 0.358E-03 0.127E-03
DAV: 30 -0.383724674070E+03 -0.11988E-04 -0.56599E-07 228 0.183E-03 0.105E-03
DAV: 31 -0.383724681041E+03 -0.69711E-05 -0.43809E-07 212 0.169E-03
1 F= -.38372468E+03 E0= -.38373822E+03 d E =0.406029E-01