./iterations/neb0_image03_iter15_OSZICAR.out output for 42: 3.3A-->1.3A 712(amd-3) Si-CH3H...HO-Si two dimer closed (TSS for CH3...OH)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.151022742433E+04 0.15102E+04 -0.43526E+04 322 0.697E+02
DAV: 2 0.254303980260E+03 -0.12559E+04 -0.11783E+04 428 0.164E+02
DAV: 3 -0.357345055454E+03 -0.61165E+03 -0.60752E+03 356 0.118E+02
DAV: 4 -0.433256316413E+03 -0.75911E+02 -0.75584E+02 316 0.519E+01
DAV: 5 -0.435007022852E+03 -0.17507E+01 -0.17479E+01 324 0.806E+00 0.426E+01
DAV: 6 -0.389180735469E+03 0.45826E+02 -0.14932E+02 308 0.287E+01 0.208E+01
DAV: 7 -0.385739544415E+03 0.34412E+01 -0.12521E+01 340 0.777E+00 0.104E+01
DAV: 8 -0.384324247723E+03 0.14153E+01 -0.21931E+00 332 0.375E+00 0.422E+00
DAV: 9 -0.383755695768E+03 0.56855E+00 -0.67565E-01 324 0.198E+00 0.101E+00
DAV: 10 -0.383714865272E+03 0.40830E-01 -0.24345E-01 356 0.928E-01 0.811E-01
DAV: 11 -0.383683421263E+03 0.31444E-01 -0.35765E-02 332 0.520E-01 0.651E-01
DAV: 12 -0.383677082310E+03 0.63390E-02 -0.92853E-02 348 0.336E-01 0.463E-01
DAV: 13 -0.383657218003E+03 0.19864E-01 -0.19220E-02 308 0.439E-01 0.363E-01
DAV: 14 -0.383653091395E+03 0.41266E-02 -0.33857E-02 316 0.396E-01 0.199E-01
DAV: 15 -0.383659392099E+03 -0.63007E-02 -0.96864E-03 308 0.270E-01 0.153E-01
DAV: 16 -0.383668567525E+03 -0.91754E-02 -0.53937E-03 292 0.211E-01 0.122E-01
DAV: 17 -0.383682462080E+03 -0.13895E-01 -0.54962E-03 316 0.201E-01 0.856E-02
DAV: 18 -0.383690293992E+03 -0.78319E-02 -0.18518E-03 316 0.127E-01 0.508E-02
DAV: 19 -0.383695847092E+03 -0.55531E-02 -0.35172E-04 316 0.476E-02 0.362E-02
DAV: 20 -0.383702579775E+03 -0.67327E-02 -0.39437E-04 308 0.405E-02 0.198E-02
DAV: 21 -0.383706090336E+03 -0.35106E-02 -0.17677E-04 308 0.261E-02 0.169E-02
DAV: 22 -0.383708434686E+03 -0.23443E-02 -0.15556E-04 292 0.250E-02 0.100E-02
DAV: 23 -0.383709155052E+03 -0.72037E-03 -0.24037E-05 252 0.112E-02 0.804E-03
DAV: 24 -0.383709751899E+03 -0.59685E-03 -0.23271E-05 228 0.975E-03 0.627E-03
DAV: 25 -0.383710126209E+03 -0.37431E-03 -0.16165E-05 228 0.858E-03 0.331E-03
DAV: 26 -0.383710257349E+03 -0.13114E-03 -0.41662E-06 236 0.477E-03 0.221E-03
DAV: 27 -0.383710366762E+03 -0.10941E-03 -0.52618E-06 204 0.485E-03 0.163E-03
DAV: 28 -0.383710400867E+03 -0.34106E-04 -0.12866E-06 236 0.294E-03 0.122E-03
DAV: 29 -0.383710440083E+03 -0.39216E-04 -0.20973E-06 196 0.303E-03 0.121E-03
DAV: 30 -0.383710446991E+03 -0.69082E-05 -0.47876E-07 236 0.203E-03
1 F= -.38371045E+03 E0= -.38372405E+03 d E =0.408118E-01