./iterations/neb0_image06_iter3_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 0.145090776028E+04 0.14509E+04 -0.44221E+04 330 0.697E+02
DAV: 2 0.227873785329E+03 -0.12230E+04 -0.11471E+04 426 0.163E+02
DAV: 3 -0.365115809480E+03 -0.59299E+03 -0.58970E+03 354 0.114E+02
DAV: 4 -0.433034330043E+03 -0.67919E+02 -0.67661E+02 318 0.491E+01
DAV: 5 -0.434518787102E+03 -0.14845E+01 -0.14821E+01 318 0.758E+00 0.426E+01
DAV: 6 -0.388763743502E+03 0.45755E+02 -0.14810E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385332954344E+03 0.34308E+01 -0.13362E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.383890144756E+03 0.14428E+01 -0.25390E+00 336 0.394E+00 0.437E+00
DAV: 9 -0.383351901994E+03 0.53824E+00 -0.12484E+00 336 0.239E+00 0.134E+00
DAV: 10 -0.383256879433E+03 0.95023E-01 -0.17335E-01 327 0.120E+00 0.894E-01
DAV: 11 -0.383236481999E+03 0.20397E-01 -0.10829E-01 327 0.735E-01 0.809E-01
DAV: 12 -0.383213964288E+03 0.22518E-01 -0.62994E-02 336 0.546E-01 0.526E-01
DAV: 13 -0.383199871294E+03 0.14093E-01 -0.39517E-02 318 0.412E-01 0.386E-01
DAV: 14 -0.383192782505E+03 0.70888E-02 -0.27289E-02 327 0.377E-01 0.362E-01
DAV: 15 -0.383195520358E+03 -0.27379E-02 -0.32888E-02 336 0.319E-01 0.512E-01
DAV: 16 -0.383196744262E+03 -0.12239E-02 -0.12824E-02 300 0.249E-01 0.283E-01
DAV: 17 -0.383209113564E+03 -0.12369E-01 -0.17091E-02 318 0.255E-01 0.283E-01
DAV: 18 -0.383216300875E+03 -0.71873E-02 -0.39669E-03 318 0.194E-01 0.222E-01
DAV: 19 -0.383220727389E+03 -0.44265E-02 -0.17761E-03 318 0.114E-01 0.972E-02
DAV: 20 -0.383227438407E+03 -0.67110E-02 -0.53511E-04 318 0.565E-02 0.107E-01
DAV: 21 -0.383233878878E+03 -0.64405E-02 -0.11335E-03 345 0.657E-02 0.886E-02
DAV: 22 -0.383238662594E+03 -0.47837E-02 -0.48585E-04 336 0.544E-02 0.297E-02
DAV: 23 -0.383241855156E+03 -0.31926E-02 -0.21256E-04 291 0.305E-02 0.194E-02
DAV: 24 -0.383244111334E+03 -0.22562E-02 -0.14689E-04 327 0.281E-02 0.195E-02
DAV: 25 -0.383244844830E+03 -0.73350E-03 -0.36139E-05 309 0.146E-02 0.236E-02
DAV: 26 -0.383245310682E+03 -0.46585E-03 -0.13829E-05 210 0.109E-02 0.164E-02
DAV: 27 -0.383245982786E+03 -0.67210E-03 -0.67776E-05 291 0.173E-02 0.108E-02
DAV: 28 -0.383246024048E+03 -0.41262E-04 -0.36079E-06 246 0.623E-03 0.757E-03
DAV: 29 -0.383246051922E+03 -0.27874E-04 -0.18069E-06 219 0.402E-03 0.645E-03
DAV: 30 -0.383246133118E+03 -0.81196E-04 -0.25692E-06 210 0.486E-03 0.479E-03
DAV: 31 -0.383246265318E+03 -0.13220E-03 -0.72213E-06 210 0.718E-03 0.481E-03
DAV: 32 -0.383246274978E+03 -0.96607E-05 -0.16017E-06 237 0.342E-03
1 F= -.38324627E+03 E0= -.38326306E+03 d E =0.503459E-01