iterations/neb0_image09_iter30_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 0.144904070943E+04 0.14490E+04 -0.44240E+04 330 0.697E+02
DAV: 2 0.238103427252E+03 -0.12109E+04 -0.11370E+04 408 0.163E+02
DAV: 3 -0.361180031881E+03 -0.59928E+03 -0.59504E+03 354 0.116E+02
DAV: 4 -0.432374504661E+03 -0.71194E+02 -0.70951E+02 309 0.504E+01
DAV: 5 -0.433992098630E+03 -0.16176E+01 -0.16145E+01 318 0.784E+00 0.425E+01
DAV: 6 -0.388432002622E+03 0.45560E+02 -0.14830E+02 309 0.287E+01 0.208E+01
DAV: 7 -0.385041192539E+03 0.33908E+01 -0.12689E+01 345 0.772E+00 0.104E+01
DAV: 8 -0.383581710574E+03 0.14595E+01 -0.21659E+00 336 0.383E+00 0.431E+00
DAV: 9 -0.383035730396E+03 0.54598E+00 -0.96112E-01 336 0.218E+00 0.105E+00
DAV: 10 -0.382967962807E+03 0.67768E-01 -0.16897E-01 327 0.103E+00 0.896E-01
DAV: 11 -0.382939613404E+03 0.28349E-01 -0.11579E-01 336 0.650E-01 0.656E-01
DAV: 12 -0.382916351732E+03 0.23262E-01 -0.65419E-02 345 0.514E-01 0.710E-01
DAV: 13 -0.382908644337E+03 0.77074E-02 -0.12579E-01 399 0.478E-01 0.511E-01
DAV: 14 -0.382897979239E+03 0.10665E-01 -0.34220E-02 309 0.447E-01 0.477E-01
DAV: 15 -0.382896525659E+03 0.14536E-02 -0.13580E-02 327 0.235E-01 0.363E-01
DAV: 16 -0.382900813930E+03 -0.42883E-02 -0.17492E-02 291 0.304E-01 0.192E-01
DAV: 17 -0.382906967727E+03 -0.61538E-02 -0.36618E-03 318 0.198E-01 0.101E-01
DAV: 18 -0.382921134783E+03 -0.14167E-01 -0.39172E-03 291 0.214E-01 0.114E-01
DAV: 19 -0.382927993869E+03 -0.68591E-02 -0.21507E-03 318 0.143E-01 0.681E-02
DAV: 20 -0.382932587956E+03 -0.45941E-02 -0.54574E-04 327 0.608E-02 0.614E-02
DAV: 21 -0.382939059983E+03 -0.64720E-02 -0.34968E-04 291 0.392E-02 0.541E-02
DAV: 22 -0.382943746579E+03 -0.46866E-02 -0.45043E-04 336 0.414E-02 0.320E-02
DAV: 23 -0.382945561063E+03 -0.18145E-02 -0.98986E-05 318 0.243E-02 0.250E-02
DAV: 24 -0.382947254694E+03 -0.16936E-02 -0.85991E-05 282 0.175E-02 0.127E-02
DAV: 25 -0.382947843122E+03 -0.58843E-03 -0.11745E-05 246 0.827E-03 0.802E-03
DAV: 26 -0.382948661545E+03 -0.81842E-03 -0.49323E-05 264 0.129E-02 0.387E-03
DAV: 27 -0.382948825850E+03 -0.16430E-03 -0.40429E-06 228 0.581E-03 0.419E-03
DAV: 28 -0.382948958941E+03 -0.13309E-03 -0.56858E-06 192 0.509E-03 0.660E-03
DAV: 29 -0.382949049597E+03 -0.90655E-04 -0.30581E-06 210 0.488E-03 0.274E-03
DAV: 30 -0.382949086344E+03 -0.36747E-04 -0.27484E-06 219 0.392E-03 0.215E-03
DAV: 31 -0.382949106170E+03 -0.19827E-04 -0.91298E-07 210 0.226E-03 0.191E-03
DAV: 32 -0.382949122945E+03 -0.16774E-04 -0.95920E-07 201 0.256E-03 0.128E-03
DAV: 33 -0.382949126564E+03 -0.36195E-05 -0.27190E-07 228 0.121E-03
1 F= -.38294913E+03 E0= -.38296641E+03 d E =0.518511E-01