iterations/neb0_image02_iter69_OSZICAR.out output for 3: !!! 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
terminated
N E dE d eps ncg rms rms(c)
DAV: 1 0.144956554065E+04 0.14496E+04 -0.44195E+04 330 0.697E+02
DAV: 2 0.224896404386E+03 -0.12247E+04 -0.11481E+04 435 0.163E+02
DAV: 3 -0.362997322430E+03 -0.58789E+03 -0.58467E+03 354 0.114E+02
DAV: 4 -0.433403407134E+03 -0.70406E+02 -0.70177E+02 309 0.503E+01
DAV: 5 -0.434964865919E+03 -0.15615E+01 -0.15588E+01 318 0.769E+00 0.427E+01
DAV: 6 -0.388745095023E+03 0.46220E+02 -0.14882E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385285031084E+03 0.34601E+01 -0.13559E+01 336 0.783E+00 0.104E+01
DAV: 8 -0.383836402200E+03 0.14486E+01 -0.21575E+00 336 0.385E+00 0.447E+00
DAV: 9 -0.383297246572E+03 0.53916E+00 -0.22364E+00 372 0.254E+00 0.153E+00
DAV: 10 -0.383215253017E+03 0.81994E-01 -0.41727E-01 318 0.123E+00 0.110E+00
DAV: 11 -0.383184598928E+03 0.30654E-01 -0.66302E-02 336 0.669E-01 0.705E-01
DAV: 12 -0.383162590077E+03 0.22009E-01 -0.32943E-02 327 0.473E-01 0.713E-01
DAV: 13 -0.383144022513E+03 0.18568E-01 -0.93172E-02 363 0.512E-01 0.577E-01
DAV: 14 -0.383135216858E+03 0.88057E-02 -0.24830E-02 327 0.360E-01 0.432E-01
DAV: 15 -0.383136345614E+03 -0.11288E-02 -0.14356E-02 363 0.404E-01 0.438E-01
DAV: 16 -0.383135630456E+03 0.71516E-03 -0.67274E-03 309 0.262E-01 0.197E-01
DAV: 17 -0.383141350582E+03 -0.57201E-02 -0.53787E-03 309 0.238E-01 0.363E-01
DAV: 18 -0.383146023881E+03 -0.46733E-02 -0.25317E-03 327 0.174E-01 0.251E-01
DAV: 19 -0.383156265792E+03 -0.10242E-01 -0.31147E-03 291 0.171E-01 0.103E-01
DAV: 20 -0.383163184626E+03 -0.69188E-02 -0.15817E-03 318 0.108E-01 0.572E-02
DAV: 21 -0.383170221725E+03 -0.70371E-02 -0.53883E-04 318 0.694E-02 0.681E-02
DAV: 22 -0.383175740805E+03 -0.55191E-02 -0.27665E-04 318 0.398E-02 0.481E-02
DAV: 23 -0.383180267151E+03 -0.45263E-02 -0.24954E-04 309 0.317E-02 0.222E-02
DAV: 24 -0.383182755635E+03 -0.24885E-02 -0.12524E-04 327 0.213E-02 0.224E-02
DAV: 25 -0.383183786640E+03 -0.10310E-02 -0.45061E-05 291 0.140E-02 0.138E-02
DAV: 26 -0.383184357674E+03 -0.57103E-03 -0.19120E-05 246 0.936E-03 0.510E-03
DAV: 27 -0.383184608371E+03 -0.25070E-03 -0.69698E-06 228 0.525E-03 0.350E-03
DAV: 28 -0.383184794137E+03 -0.18577E-03 -0.57022E-06 210 0.411E-03 0.247E-03
DAV: 29 -0.383184901314E+03 -0.10718E-03 -0.34257E-06 210 0.339E-03 0.151E-03
DAV: 30 -0.383184945821E+03 -0.44507E-04 -0.17954E-06 219 0.254E-03 0.112E-03
DAV: 31 -0.383184971156E+03 -0.25335E-04 -0.12616E-06 201 0.207E-03 0.699E-04
DAV: 32 -0.383184976935E+03 -0.57791E-05 -0.43859E-07 228 0.124E-03
1 F= -.38318498E+03 E0= -.38320161E+03 d E =0.498863E-01