./neb0_image05_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145009344379E+04 0.14501E+04 -0.44211E+04 330 0.697E+02
DAV: 2 0.232310015355E+03 -0.12178E+04 -0.11426E+04 417 0.163E+02
DAV: 3 -0.361099561234E+03 -0.59341E+03 -0.59020E+03 345 0.114E+02
DAV: 4 -0.433165030375E+03 -0.72065E+02 -0.71820E+02 309 0.515E+01
DAV: 5 -0.434813334834E+03 -0.16483E+01 -0.16455E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388972121015E+03 0.45841E+02 -0.14712E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385524232745E+03 0.34479E+01 -0.13407E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384067375167E+03 0.14569E+01 -0.23084E+00 336 0.388E+00 0.434E+00
DAV: 9 -0.383503824594E+03 0.56355E+00 -0.89163E-01 336 0.221E+00 0.120E+00
DAV: 10 -0.383454321433E+03 0.49503E-01 -0.45985E-01 336 0.118E+00 0.120E+00
DAV: 11 -0.383422761453E+03 0.31560E-01 -0.23696E-01 354 0.711E-01 0.829E-01
DAV: 12 -0.383406668281E+03 0.16093E-01 -0.27919E-02 336 0.496E-01 0.720E-01
DAV: 13 -0.383394180823E+03 0.12487E-01 -0.19223E-02 345 0.467E-01 0.736E-01
DAV: 14 -0.383379424852E+03 0.14756E-01 -0.15115E-01 345 0.526E-01 0.600E-01
DAV: 15 -0.383382192104E+03 -0.27673E-02 -0.85338E-02 327 0.385E-01 0.846E-01
DAV: 16 -0.383376336061E+03 0.58560E-02 -0.11590E-02 309 0.343E-01 0.298E-01
DAV: 17 -0.383380335458E+03 -0.39994E-02 -0.53935E-03 309 0.214E-01 0.167E-01
DAV: 18 -0.383389986803E+03 -0.96513E-02 -0.48727E-03 309 0.178E-01 0.182E-01
DAV: 19 -0.383400446826E+03 -0.10460E-01 -0.55701E-03 309 0.175E-01 0.156E-01
DAV: 20 -0.383407463137E+03 -0.70163E-02 -0.17590E-03 327 0.112E-01 0.103E-01
DAV: 21 -0.383412378822E+03 -0.49157E-02 -0.74557E-04 336 0.687E-02 0.898E-02
DAV: 22 -0.383418252398E+03 -0.58736E-02 -0.44874E-04 309 0.492E-02 0.758E-02
DAV: 23 -0.383422691096E+03 -0.44387E-02 -0.23199E-04 327 0.360E-02 0.515E-02
DAV: 24 -0.383424823637E+03 -0.21325E-02 -0.13940E-04 309 0.329E-02 0.259E-02
DAV: 25 -0.383426520230E+03 -0.16966E-02 -0.83350E-05 309 0.196E-02 0.223E-02
DAV: 26 -0.383427335744E+03 -0.81551E-03 -0.22299E-05 237 0.117E-02 0.304E-02
DAV: 27 -0.383428331160E+03 -0.99542E-03 -0.63651E-05 282 0.145E-02 0.152E-02
DAV: 28 -0.383428638911E+03 -0.30775E-03 -0.19312E-05 246 0.895E-03 0.825E-03
DAV: 29 -0.383428793507E+03 -0.15460E-03 -0.70080E-06 228 0.601E-03 0.527E-03
DAV: 30 -0.383428899011E+03 -0.10550E-03 -0.34938E-06 210 0.483E-03 0.279E-03
DAV: 31 -0.383428970135E+03 -0.71125E-04 -0.31445E-06 210 0.470E-03 0.268E-03
DAV: 32 -0.383429003897E+03 -0.33762E-04 -0.12977E-06 237 0.262E-03 0.238E-03
DAV: 33 -0.383429039224E+03 -0.35327E-04 -0.11653E-06 192 0.252E-03 0.313E-03
DAV: 34 -0.383429057562E+03 -0.18337E-04 -0.73611E-07 228 0.179E-03 0.179E-03
DAV: 35 -0.383429063618E+03 -0.60569E-05 -0.34940E-07 219 0.168E-03
1 F= -.38342906E+03 E0= -.38344573E+03 d E =0.500122E-01