iterations/neb0_image01_iter65_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 0.144727690112E+04 0.14473E+04 -0.44190E+04 330 0.697E+02
DAV: 2 0.223979649827E+03 -0.12233E+04 -0.11462E+04 435 0.163E+02
DAV: 3 -0.363160373838E+03 -0.58714E+03 -0.58377E+03 345 0.114E+02
DAV: 4 -0.433510304489E+03 -0.70350E+02 -0.70079E+02 318 0.508E+01
DAV: 5 -0.435083670782E+03 -0.15734E+01 -0.15709E+01 318 0.779E+00 0.426E+01
DAV: 6 -0.389098835957E+03 0.45985E+02 -0.14827E+02 309 0.285E+01 0.208E+01
DAV: 7 -0.385627149352E+03 0.34717E+01 -0.13355E+01 345 0.780E+00 0.104E+01
DAV: 8 -0.384155910935E+03 0.14712E+01 -0.22216E+00 336 0.384E+00 0.432E+00
DAV: 9 -0.383608911763E+03 0.54700E+00 -0.15741E+00 336 0.238E+00 0.127E+00
DAV: 10 -0.383530612783E+03 0.78299E-01 -0.15064E-01 318 0.107E+00 0.948E-01
DAV: 11 -0.383506723716E+03 0.23889E-01 -0.16227E-01 336 0.864E-01 0.877E-01
DAV: 12 -0.383485862536E+03 0.20861E-01 -0.18971E-01 327 0.609E-01 0.704E-01
DAV: 13 -0.383481317000E+03 0.45455E-02 -0.92542E-02 345 0.339E-01 0.701E-01
DAV: 14 -0.383465376538E+03 0.15940E-01 -0.10009E-01 318 0.441E-01 0.404E-01
DAV: 15 -0.383461647506E+03 0.37290E-02 -0.13880E-02 318 0.360E-01 0.313E-01
DAV: 16 -0.383469379377E+03 -0.77319E-02 -0.71956E-03 300 0.275E-01 0.152E-01
DAV: 17 -0.383480760487E+03 -0.11381E-01 -0.48036E-03 300 0.203E-01 0.252E-01
DAV: 18 -0.383488790927E+03 -0.80304E-02 -0.33655E-03 372 0.165E-01 0.147E-01
DAV: 19 -0.383490796350E+03 -0.20054E-02 -0.11053E-03 318 0.793E-02 0.150E-01
DAV: 20 -0.383494291133E+03 -0.34948E-02 -0.43677E-04 372 0.688E-02 0.770E-02
DAV: 21 -0.383499448250E+03 -0.51571E-02 -0.12675E-03 309 0.847E-02 0.721E-02
DAV: 22 -0.383500472171E+03 -0.10239E-02 -0.11447E-03 327 0.637E-02 0.753E-02
DAV: 23 -0.383505744868E+03 -0.52727E-02 -0.33911E-04 282 0.538E-02 0.380E-02
DAV: 24 -0.383509231331E+03 -0.34865E-02 -0.47332E-04 327 0.482E-02 0.640E-02
DAV: 25 -0.383510718104E+03 -0.14868E-02 -0.81196E-04 336 0.378E-02 0.517E-02
DAV: 26 -0.383512421146E+03 -0.17030E-02 -0.14398E-04 309 0.232E-02 0.256E-02
DAV: 27 -0.383513176790E+03 -0.75564E-03 -0.37093E-05 300 0.129E-02 0.196E-02
DAV: 28 -0.383513623953E+03 -0.44716E-03 -0.18109E-05 255 0.108E-02 0.158E-02
DAV: 29 -0.383513913532E+03 -0.28958E-03 -0.14030E-05 237 0.859E-03 0.875E-03
DAV: 30 -0.383514134405E+03 -0.22087E-03 -0.18422E-05 237 0.751E-03 0.740E-03
DAV: 31 -0.383514262341E+03 -0.12794E-03 -0.78762E-06 219 0.704E-03 0.701E-03
DAV: 32 -0.383514308956E+03 -0.46615E-04 -0.30951E-06 228 0.395E-03 0.434E-03
DAV: 33 -0.383514336577E+03 -0.27621E-04 -0.25415E-06 210 0.340E-03 0.194E-03
DAV: 34 -0.383514372772E+03 -0.36195E-04 -0.13857E-06 210 0.264E-03 0.174E-03
DAV: 35 -0.383514384563E+03 -0.11791E-04 -0.94299E-07 228 0.163E-03 0.146E-03
DAV: 36 -0.383514396869E+03 -0.12305E-04 -0.96664E-07 192 0.181E-03 0.211E-03
DAV: 37 -0.383514401020E+03 -0.41511E-05 -0.36029E-07 228 0.107E-03
1 F= -.38351440E+03 E0= -.38353099E+03 d E =0.497638E-01