iterations/neb0_image08_iter25_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 0.145108545743E+04 0.14511E+04 -0.44247E+04 330 0.697E+02
DAV: 2 0.229060844303E+03 -0.12220E+04 -0.11465E+04 426 0.163E+02
DAV: 3 -0.360527874421E+03 -0.58959E+03 -0.58602E+03 345 0.114E+02
DAV: 4 -0.432730375884E+03 -0.72203E+02 -0.71917E+02 318 0.512E+01
DAV: 5 -0.434378011973E+03 -0.16476E+01 -0.16449E+01 318 0.797E+00 0.426E+01
DAV: 6 -0.388646264193E+03 0.45732E+02 -0.14756E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385208178735E+03 0.34381E+01 -0.13042E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.383744545474E+03 0.14636E+01 -0.18409E+00 336 0.380E+00 0.431E+00
DAV: 9 -0.383222724399E+03 0.52182E+00 -0.15650E+00 336 0.227E+00 0.114E+00
DAV: 10 -0.383148959388E+03 0.73765E-01 -0.17139E-01 336 0.103E+00 0.921E-01
DAV: 11 -0.383115567261E+03 0.33392E-01 -0.76244E-02 327 0.602E-01 0.792E-01
DAV: 12 -0.383110631941E+03 0.49353E-02 -0.24382E-01 381 0.677E-01 0.107E+00
DAV: 13 -0.383077868245E+03 0.32764E-01 -0.47577E-02 354 0.516E-01 0.413E-01
DAV: 14 -0.383074592157E+03 0.32761E-02 -0.75134E-02 318 0.414E-01 0.690E-01
DAV: 15 -0.383067997313E+03 0.65948E-02 -0.52210E-02 309 0.397E-01 0.307E-01
DAV: 16 -0.383072693674E+03 -0.46964E-02 -0.83846E-03 336 0.255E-01 0.144E-01
DAV: 17 -0.383083561079E+03 -0.10867E-01 -0.34770E-03 291 0.183E-01 0.118E-01
DAV: 18 -0.383092288122E+03 -0.87270E-02 -0.21625E-03 327 0.149E-01 0.126E-01
DAV: 19 -0.383099411542E+03 -0.71234E-02 -0.26605E-03 318 0.135E-01 0.995E-02
DAV: 20 -0.383105611305E+03 -0.61998E-02 -0.68292E-04 318 0.762E-02 0.110E-01
DAV: 21 -0.383110604781E+03 -0.49935E-02 -0.54589E-04 345 0.516E-02 0.365E-02
DAV: 22 -0.383115498264E+03 -0.48935E-02 -0.43871E-04 345 0.455E-02 0.445E-02
DAV: 23 -0.383117240103E+03 -0.17418E-02 -0.10462E-04 300 0.209E-02 0.192E-02
DAV: 24 -0.383119047234E+03 -0.18071E-02 -0.85071E-05 291 0.172E-02 0.240E-02
DAV: 25 -0.383120552518E+03 -0.15053E-02 -0.12599E-04 300 0.207E-02 0.112E-02
DAV: 26 -0.383120809127E+03 -0.25661E-03 -0.10731E-05 237 0.839E-03 0.719E-03
DAV: 27 -0.383121205035E+03 -0.39591E-03 -0.14792E-05 219 0.846E-03 0.468E-03
DAV: 28 -0.383121369829E+03 -0.16479E-03 -0.45884E-06 228 0.531E-03 0.266E-03
DAV: 29 -0.383121459716E+03 -0.89888E-04 -0.28145E-06 210 0.402E-03 0.300E-03
DAV: 30 -0.383121551014E+03 -0.91298E-04 -0.33367E-06 210 0.356E-03 0.196E-03
DAV: 31 -0.383121581900E+03 -0.30885E-04 -0.13394E-06 228 0.258E-03 0.189E-03
DAV: 32 -0.383121612558E+03 -0.30658E-04 -0.16599E-06 201 0.296E-03 0.115E-03
DAV: 33 -0.383121618119E+03 -0.55606E-05 -0.41181E-07 228 0.161E-03
1 F= -.38312162E+03 E0= -.38313876E+03 d E =0.514342E-01