iterations/neb0_image02_iter73_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 0.144833563355E+04 0.14483E+04 -0.44194E+04 330 0.697E+02
DAV: 2 0.224261365774E+03 -0.12241E+04 -0.11473E+04 435 0.163E+02
DAV: 3 -0.362971884191E+03 -0.58723E+03 -0.58407E+03 345 0.114E+02
DAV: 4 -0.433502857562E+03 -0.70531E+02 -0.70299E+02 309 0.508E+01
DAV: 5 -0.435084322457E+03 -0.15815E+01 -0.15788E+01 318 0.781E+00 0.426E+01
DAV: 6 -0.389042434035E+03 0.46042E+02 -0.14827E+02 318 0.285E+01 0.208E+01
DAV: 7 -0.385588276031E+03 0.34542E+01 -0.13928E+01 345 0.781E+00 0.104E+01
DAV: 8 -0.384111717118E+03 0.14766E+01 -0.20779E+00 336 0.386E+00 0.435E+00
DAV: 9 -0.383575178995E+03 0.53654E+00 -0.17755E+00 354 0.245E+00 0.142E+00
DAV: 10 -0.383505380558E+03 0.69798E-01 -0.32481E-01 327 0.114E+00 0.107E+00
DAV: 11 -0.383479013660E+03 0.26367E-01 -0.26451E-01 336 0.668E-01 0.102E+00
DAV: 12 -0.383461207420E+03 0.17806E-01 -0.32198E-01 354 0.770E-01 0.853E-01
DAV: 13 -0.383440073919E+03 0.21134E-01 -0.11649E-01 372 0.538E-01 0.631E-01
DAV: 14 -0.383429094029E+03 0.10980E-01 -0.34853E-02 327 0.347E-01 0.423E-01
DAV: 15 -0.383426060442E+03 0.30336E-02 -0.24959E-02 318 0.435E-01 0.400E-01
DAV: 16 -0.383427440072E+03 -0.13796E-02 -0.14293E-02 318 0.274E-01 0.213E-01
DAV: 17 -0.383434277857E+03 -0.68378E-02 -0.41710E-03 291 0.185E-01 0.140E-01
DAV: 18 -0.383443716278E+03 -0.94384E-02 -0.20079E-03 318 0.146E-01 0.748E-02
DAV: 19 -0.383457210218E+03 -0.13494E-01 -0.20025E-03 318 0.147E-01 0.497E-02
DAV: 20 -0.383464909006E+03 -0.76988E-02 -0.10071E-03 318 0.895E-02 0.643E-02
DAV: 21 -0.383467844492E+03 -0.29355E-02 -0.11935E-04 345 0.307E-02 0.437E-02
DAV: 22 -0.383472507786E+03 -0.46633E-02 -0.29742E-04 300 0.373E-02 0.203E-02
DAV: 23 -0.383475281179E+03 -0.27734E-02 -0.15364E-04 309 0.262E-02 0.179E-02
DAV: 24 -0.383476308656E+03 -0.10275E-02 -0.59996E-05 345 0.219E-02 0.198E-02
DAV: 25 -0.383476878111E+03 -0.56945E-03 -0.22483E-05 246 0.132E-02 0.135E-02
DAV: 26 -0.383477451697E+03 -0.57359E-03 -0.32519E-05 291 0.141E-02 0.712E-03
DAV: 27 -0.383477562430E+03 -0.11073E-03 -0.78922E-06 264 0.747E-03 0.725E-03
DAV: 28 -0.383477599193E+03 -0.36763E-04 -0.15409E-06 228 0.332E-03 0.742E-03
DAV: 29 -0.383477546327E+03 0.52866E-04 -0.10909E-06 201 0.527E-03 0.805E-03
DAV: 30 -0.383477511680E+03 0.34647E-04 -0.49731E-06 237 0.599E-03 0.842E-03
DAV: 31 -0.383477492951E+03 0.18728E-04 -0.10269E-05 246 0.108E-02 0.832E-03
DAV: 32 -0.383477634906E+03 -0.14195E-03 -0.30427E-05 291 0.183E-02 0.715E-03
DAV: 33 -0.383477844635E+03 -0.20973E-03 -0.53110E-05 345 0.221E-02 0.568E-03
DAV: 34 -0.383477929354E+03 -0.84719E-04 -0.40382E-05 336 0.167E-02 0.961E-03
DAV: 35 -0.383477941358E+03 -0.12003E-04 -0.56988E-06 255 0.780E-03 0.939E-03
DAV: 36 -0.383477944167E+03 -0.28099E-05 -0.29908E-06 219 0.459E-03
1 F= -.38347794E+03 E0= -.38349164E+03 d E =0.410963E-01