iterations/neb0_image05_iter9_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 0.145084300902E+04 0.14508E+04 -0.44214E+04 330 0.697E+02
DAV: 2 0.232721276441E+03 -0.12181E+04 -0.11432E+04 417 0.163E+02
DAV: 3 -0.361052947788E+03 -0.59377E+03 -0.59055E+03 345 0.114E+02
DAV: 4 -0.433189749407E+03 -0.72137E+02 -0.71895E+02 309 0.516E+01
DAV: 5 -0.434837000394E+03 -0.16473E+01 -0.16444E+01 318 0.798E+00 0.426E+01
DAV: 6 -0.388946157939E+03 0.45891E+02 -0.14716E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385485870805E+03 0.34603E+01 -0.13275E+01 345 0.784E+00 0.104E+01
DAV: 8 -0.384051629441E+03 0.14342E+01 -0.19280E+00 336 0.383E+00 0.439E+00
DAV: 9 -0.383500124011E+03 0.55151E+00 -0.18618E+00 354 0.247E+00 0.132E+00
DAV: 10 -0.383428801276E+03 0.71323E-01 -0.21174E-01 318 0.110E+00 0.935E-01
DAV: 11 -0.383401084909E+03 0.27716E-01 -0.10339E-01 327 0.603E-01 0.755E-01
DAV: 12 -0.383370846941E+03 0.30238E-01 -0.38973E-02 327 0.555E-01 0.455E-01
DAV: 13 -0.383360540753E+03 0.10306E-01 -0.54329E-02 336 0.512E-01 0.803E-01
DAV: 14 -0.383355459260E+03 0.50815E-02 -0.82351E-02 327 0.454E-01 0.504E-01
DAV: 15 -0.383354392425E+03 0.10668E-02 -0.19553E-02 318 0.282E-01 0.371E-01
DAV: 16 -0.383354918771E+03 -0.52635E-03 -0.86955E-03 309 0.239E-01 0.240E-01
DAV: 17 -0.383360181058E+03 -0.52623E-02 -0.99955E-03 318 0.254E-01 0.233E-01
DAV: 18 -0.383370897483E+03 -0.10716E-01 -0.31670E-03 318 0.172E-01 0.680E-02
DAV: 19 -0.383381422232E+03 -0.10525E-01 -0.22881E-03 300 0.154E-01 0.775E-02
DAV: 20 -0.383388767788E+03 -0.73456E-02 -0.11419E-03 327 0.887E-02 0.816E-02
DAV: 21 -0.383392365736E+03 -0.35979E-02 -0.19159E-04 345 0.316E-02 0.582E-02
DAV: 22 -0.383397815597E+03 -0.54499E-02 -0.36718E-04 309 0.395E-02 0.282E-02
DAV: 23 -0.383400427052E+03 -0.26115E-02 -0.19708E-04 354 0.281E-02 0.359E-02
DAV: 24 -0.383401922626E+03 -0.14956E-02 -0.63556E-05 300 0.189E-02 0.145E-02
DAV: 25 -0.383402948667E+03 -0.10260E-02 -0.44376E-05 300 0.132E-02 0.120E-02
DAV: 26 -0.383403557223E+03 -0.60856E-03 -0.23353E-05 255 0.931E-03 0.594E-03
DAV: 27 -0.383403812405E+03 -0.25518E-03 -0.75989E-06 228 0.625E-03 0.491E-03
DAV: 28 -0.383403958937E+03 -0.14653E-03 -0.56251E-06 210 0.542E-03 0.324E-03
DAV: 29 -0.383404058819E+03 -0.99882E-04 -0.34239E-06 219 0.470E-03 0.230E-03
DAV: 30 -0.383404090068E+03 -0.31249E-04 -0.17903E-06 237 0.300E-03 0.231E-03
DAV: 31 -0.383404104627E+03 -0.14559E-04 -0.67308E-07 192 0.220E-03 0.197E-03
DAV: 32 -0.383404126806E+03 -0.22179E-04 -0.13541E-06 210 0.314E-03 0.143E-03
DAV: 33 -0.383404132953E+03 -0.61476E-05 -0.39102E-07 228 0.197E-03
1 F= -.38340413E+03 E0= -.38342063E+03 d E =0.494980E-01