iterations/neb0_image03_iter21_OSZICAR.out output for 43: 3.6A-->1.6A 715(amd-3) Si-CH2H...H2HC-Si two dimer closed (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.161855636953E+04 0.16186E+04 -0.42276E+04 306 0.697E+02
DAV: 2 0.297677281378E+03 -0.13209E+04 -0.12437E+04 420 0.168E+02
DAV: 3 -0.362726428689E+03 -0.66040E+03 -0.65727E+03 372 0.123E+02
DAV: 4 -0.433659466684E+03 -0.70933E+02 -0.70675E+02 316 0.506E+01
DAV: 5 -0.435168931675E+03 -0.15095E+01 -0.15073E+01 324 0.768E+00 0.427E+01
DAV: 6 -0.389104899252E+03 0.46064E+02 -0.15075E+02 308 0.286E+01 0.208E+01
DAV: 7 -0.385599602017E+03 0.35053E+01 -0.12421E+01 340 0.768E+00 0.104E+01
DAV: 8 -0.384164968486E+03 0.14346E+01 -0.28417E+00 340 0.390E+00 0.436E+00
DAV: 9 -0.383610919862E+03 0.55405E+00 -0.10241E+00 324 0.207E+00 0.111E+00
DAV: 10 -0.383528814312E+03 0.82106E-01 -0.15765E-01 332 0.996E-01 0.774E-01
DAV: 11 -0.383505467606E+03 0.23347E-01 -0.33314E-02 316 0.470E-01 0.526E-01
DAV: 12 -0.383487115716E+03 0.18352E-01 -0.87917E-02 324 0.508E-01 0.501E-01
DAV: 13 -0.383481053505E+03 0.60622E-02 -0.22556E-02 324 0.308E-01 0.237E-01
DAV: 14 -0.383483366532E+03 -0.23130E-02 -0.11691E-02 308 0.305E-01 0.287E-01
DAV: 15 -0.383488852145E+03 -0.54856E-02 -0.15142E-02 308 0.225E-01 0.208E-01
DAV: 16 -0.383495661070E+03 -0.68089E-02 -0.53387E-03 300 0.142E-01 0.151E-01
DAV: 17 -0.383507572210E+03 -0.11911E-01 -0.61698E-03 332 0.182E-01 0.154E-01
DAV: 18 -0.383513712400E+03 -0.61402E-02 -0.43198E-03 316 0.149E-01 0.130E-01
DAV: 19 -0.383516265337E+03 -0.25529E-02 -0.11205E-03 332 0.781E-02 0.758E-02
DAV: 20 -0.383521037798E+03 -0.47725E-02 -0.41886E-04 276 0.490E-02 0.558E-02
DAV: 21 -0.383528183712E+03 -0.71459E-02 -0.50293E-04 324 0.528E-02 0.318E-02
DAV: 22 -0.383532327079E+03 -0.41434E-02 -0.34945E-04 300 0.399E-02 0.336E-02
DAV: 23 -0.383535912444E+03 -0.35854E-02 -0.22891E-04 316 0.320E-02 0.245E-02
DAV: 24 -0.383537263099E+03 -0.13507E-02 -0.58715E-05 284 0.157E-02 0.116E-02
DAV: 25 -0.383538031610E+03 -0.76851E-03 -0.47421E-05 300 0.159E-02 0.722E-03
DAV: 26 -0.383538345245E+03 -0.31363E-03 -0.97062E-06 228 0.730E-03 0.569E-03
DAV: 27 -0.383538701332E+03 -0.35609E-03 -0.14993E-05 228 0.754E-03 0.708E-03
DAV: 28 -0.383538865256E+03 -0.16392E-03 -0.64943E-06 228 0.465E-03 0.377E-03
DAV: 29 -0.383538931054E+03 -0.65799E-04 -0.25982E-06 220 0.312E-03 0.138E-03
DAV: 30 -0.383538989375E+03 -0.58321E-04 -0.22401E-06 204 0.321E-03 0.182E-03
DAV: 31 -0.383539011181E+03 -0.21806E-04 -0.90818E-07 228 0.185E-03 0.163E-03
DAV: 32 -0.383539026195E+03 -0.15014E-04 -0.72040E-07 212 0.207E-03 0.551E-04
DAV: 33 -0.383539030187E+03 -0.39915E-05 -0.31933E-07 228 0.132E-03
1 F= -.38353903E+03 E0= -.38355626E+03 d E =0.516996E-01