./iterations/neb0_image05_iter15_OSZICAR.out output for 3: 3.3A-->1.3A 709 (amd-9) Si-H2N...HCH2-Si two dimer (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.145056717131E+04 0.14506E+04 -0.44212E+04 330 0.697E+02
DAV: 2 0.232690916114E+03 -0.12179E+04 -0.11430E+04 417 0.163E+02
DAV: 3 -0.364848683371E+03 -0.59754E+03 -0.59426E+03 354 0.114E+02
DAV: 4 -0.433305485721E+03 -0.68457E+02 -0.68214E+02 318 0.495E+01
DAV: 5 -0.434803501956E+03 -0.14980E+01 -0.14955E+01 318 0.762E+00 0.426E+01
DAV: 6 -0.388939315797E+03 0.45864E+02 -0.14807E+02 309 0.286E+01 0.208E+01
DAV: 7 -0.385503014843E+03 0.34363E+01 -0.13401E+01 345 0.782E+00 0.104E+01
DAV: 8 -0.384044696799E+03 0.14583E+01 -0.22791E+00 336 0.388E+00 0.433E+00
DAV: 9 -0.383487746202E+03 0.55695E+00 -0.95948E-01 327 0.226E+00 0.135E+00
DAV: 10 -0.383441931660E+03 0.45815E-01 -0.71999E-01 336 0.129E+00 0.121E+00
DAV: 11 -0.383401797405E+03 0.40134E-01 -0.24104E-01 363 0.768E-01 0.834E-01
DAV: 12 -0.383383524251E+03 0.18273E-01 -0.36650E-02 336 0.502E-01 0.578E-01
DAV: 13 -0.383367355522E+03 0.16169E-01 -0.25322E-02 327 0.411E-01 0.593E-01
DAV: 14 -0.383358823171E+03 0.85324E-02 -0.15799E-02 345 0.474E-01 0.641E-01
DAV: 15 -0.383355311177E+03 0.35120E-02 -0.10841E-02 318 0.348E-01 0.327E-01
DAV: 16 -0.383356116547E+03 -0.80537E-03 -0.80985E-03 300 0.283E-01 0.163E-01
DAV: 17 -0.383363780435E+03 -0.76639E-02 -0.55311E-03 309 0.201E-01 0.130E-01
DAV: 18 -0.383376321663E+03 -0.12541E-01 -0.68058E-03 300 0.189E-01 0.244E-01
DAV: 19 -0.383383816544E+03 -0.74949E-02 -0.85717E-03 318 0.172E-01 0.123E-01
DAV: 20 -0.383389527028E+03 -0.57105E-02 -0.85755E-04 318 0.816E-02 0.673E-02
DAV: 21 -0.383394309714E+03 -0.47827E-02 -0.45747E-04 336 0.475E-02 0.441E-02
DAV: 22 -0.383400106904E+03 -0.57972E-02 -0.25004E-04 300 0.357E-02 0.274E-02
DAV: 23 -0.383403097324E+03 -0.29904E-02 -0.13419E-04 327 0.247E-02 0.190E-02
DAV: 24 -0.383405644667E+03 -0.25473E-02 -0.13749E-04 282 0.227E-02 0.952E-03
DAV: 25 -0.383406778390E+03 -0.11337E-02 -0.47173E-05 300 0.131E-02 0.700E-03
DAV: 26 -0.383407391868E+03 -0.61348E-03 -0.25056E-05 246 0.114E-02 0.409E-03
DAV: 27 -0.383407649469E+03 -0.25760E-03 -0.74019E-06 219 0.582E-03 0.319E-03
DAV: 28 -0.383407779326E+03 -0.12986E-03 -0.42405E-06 228 0.439E-03 0.216E-03
DAV: 29 -0.383407876788E+03 -0.97462E-04 -0.34785E-06 210 0.341E-03 0.169E-03
DAV: 30 -0.383407912391E+03 -0.35603E-04 -0.15373E-06 228 0.271E-03 0.116E-03
DAV: 31 -0.383407938703E+03 -0.26312E-04 -0.15175E-06 210 0.261E-03 0.136E-03
DAV: 32 -0.383407942605E+03 -0.39017E-05 -0.39346E-07 237 0.159E-03
1 F= -.38340794E+03 E0= -.38342460E+03 d E =0.499702E-01