iterations/neb0_image06_iter28_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 0.145002371625E+04 0.14500E+04 -0.44219E+04 330 0.697E+02
DAV: 2 0.227224899677E+03 -0.12228E+04 -0.11465E+04 426 0.163E+02
DAV: 3 -0.365388731616E+03 -0.59261E+03 -0.58932E+03 354 0.114E+02
DAV: 4 -0.433180687708E+03 -0.67792E+02 -0.67538E+02 318 0.490E+01
DAV: 5 -0.434667470524E+03 -0.14868E+01 -0.14843E+01 318 0.757E+00 0.426E+01
DAV: 6 -0.388891588822E+03 0.45776E+02 -0.14826E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385464282315E+03 0.34273E+01 -0.13142E+01 345 0.776E+00 0.104E+01
DAV: 8 -0.383987908681E+03 0.14764E+01 -0.18358E+00 327 0.379E+00 0.431E+00
DAV: 9 -0.383470754429E+03 0.51715E+00 -0.16296E+00 336 0.226E+00 0.114E+00
DAV: 10 -0.383397462203E+03 0.73292E-01 -0.16252E-01 336 0.991E-01 0.928E-01
DAV: 11 -0.383372694497E+03 0.24768E-01 -0.13554E-01 318 0.628E-01 0.847E-01
DAV: 12 -0.383344668426E+03 0.28026E-01 -0.10261E-01 372 0.640E-01 0.987E-01
DAV: 13 -0.383332105380E+03 0.12563E-01 -0.25315E-01 372 0.562E-01 0.529E-01
DAV: 14 -0.383317802271E+03 0.14303E-01 -0.17865E-02 309 0.406E-01 0.304E-01
DAV: 15 -0.383317799753E+03 0.25181E-05 -0.25602E-02 327 0.327E-01 0.509E-01
DAV: 16 -0.383319109498E+03 -0.13097E-02 -0.10308E-02 300 0.232E-01 0.244E-01
DAV: 17 -0.383331170283E+03 -0.12061E-01 -0.11446E-02 291 0.265E-01 0.190E-01
DAV: 18 -0.383337910533E+03 -0.67402E-02 -0.27889E-03 327 0.157E-01 0.109E-01
DAV: 19 -0.383345156486E+03 -0.72460E-02 -0.93791E-04 300 0.842E-02 0.131E-01
DAV: 20 -0.383353960327E+03 -0.88038E-02 -0.14339E-03 318 0.894E-02 0.614E-02
DAV: 21 -0.383357862193E+03 -0.39019E-02 -0.50985E-04 318 0.575E-02 0.304E-02
DAV: 22 -0.383362056183E+03 -0.41940E-02 -0.25733E-04 300 0.342E-02 0.308E-02
DAV: 23 -0.383365271997E+03 -0.32158E-02 -0.16927E-04 327 0.233E-02 0.172E-02
DAV: 24 -0.383368166296E+03 -0.28943E-02 -0.19836E-04 282 0.242E-02 0.848E-03
DAV: 25 -0.383368833561E+03 -0.66727E-03 -0.27721E-05 282 0.102E-02 0.625E-03
DAV: 26 -0.383369239916E+03 -0.40636E-03 -0.15963E-05 219 0.731E-03 0.594E-03
DAV: 27 -0.383369395969E+03 -0.15605E-03 -0.44906E-06 228 0.451E-03 0.464E-03
DAV: 28 -0.383369526871E+03 -0.13090E-03 -0.36774E-06 201 0.418E-03 0.311E-03
DAV: 29 -0.383369605456E+03 -0.78585E-04 -0.39621E-06 219 0.404E-03 0.223E-03
DAV: 30 -0.383369635244E+03 -0.29788E-04 -0.13228E-06 228 0.256E-03 0.145E-03
DAV: 31 -0.383369652232E+03 -0.16988E-04 -0.81269E-07 201 0.169E-03 0.626E-04
DAV: 32 -0.383369664016E+03 -0.11784E-04 -0.50246E-07 219 0.142E-03 0.916E-04
DAV: 33 -0.383369668617E+03 -0.46006E-05 -0.23716E-07 228 0.896E-04
1 F= -.38336967E+03 E0= -.38338650E+03 d E =0.505070E-01