iterations/neb0_image04_iter14_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 0.161899265212E+04 0.16190E+04 -0.42281E+04 306 0.697E+02
DAV: 2 0.298023578112E+03 -0.13210E+04 -0.12420E+04 420 0.168E+02
DAV: 3 -0.354113322625E+03 -0.65214E+03 -0.64856E+03 356 0.123E+02
DAV: 4 -0.433263093350E+03 -0.79150E+02 -0.78809E+02 316 0.540E+01
DAV: 5 -0.435107773062E+03 -0.18447E+01 -0.18424E+01 340 0.830E+00 0.427E+01
DAV: 6 -0.389061494715E+03 0.46046E+02 -0.15048E+02 316 0.286E+01 0.208E+01
DAV: 7 -0.385567553904E+03 0.34939E+01 -0.12569E+01 340 0.770E+00 0.104E+01
DAV: 8 -0.384139369735E+03 0.14282E+01 -0.26446E+00 332 0.388E+00 0.433E+00
DAV: 9 -0.383577744588E+03 0.56163E+00 -0.82395E-01 324 0.203E+00 0.120E+00
DAV: 10 -0.383521134944E+03 0.56610E-01 -0.44102E-01 340 0.104E+00 0.799E-01
DAV: 11 -0.383493393485E+03 0.27741E-01 -0.32791E-02 324 0.486E-01 0.683E-01
DAV: 12 -0.383482405120E+03 0.10988E-01 -0.25695E-01 396 0.763E-01 0.959E-01
DAV: 13 -0.383463105026E+03 0.19300E-01 -0.13406E-01 316 0.450E-01 0.700E-01
DAV: 14 -0.383460307855E+03 0.27972E-02 -0.24936E-02 356 0.220E-01 0.355E-01
DAV: 15 -0.383463745361E+03 -0.34375E-02 -0.56208E-03 292 0.212E-01 0.289E-01
DAV: 16 -0.383475064517E+03 -0.11319E-01 -0.14037E-02 332 0.268E-01 0.199E-01
DAV: 17 -0.383487303740E+03 -0.12239E-01 -0.39621E-03 300 0.212E-01 0.127E-01
DAV: 18 -0.383493582135E+03 -0.62784E-02 -0.31123E-03 316 0.112E-01 0.134E-01
DAV: 19 -0.383500883014E+03 -0.73009E-02 -0.13132E-03 292 0.686E-02 0.107E-01
DAV: 20 -0.383508220966E+03 -0.73380E-02 -0.83338E-04 300 0.661E-02 0.583E-02
DAV: 21 -0.383513021496E+03 -0.48005E-02 -0.44592E-04 324 0.541E-02 0.320E-02
DAV: 22 -0.383516830546E+03 -0.38091E-02 -0.25951E-04 324 0.369E-02 0.359E-02
DAV: 23 -0.383517950075E+03 -0.11195E-02 -0.73315E-05 316 0.209E-02 0.209E-02
DAV: 24 -0.383519812960E+03 -0.18629E-02 -0.10702E-04 284 0.202E-02 0.145E-02
DAV: 25 -0.383520494762E+03 -0.68180E-03 -0.28468E-05 260 0.102E-02 0.507E-03
DAV: 26 -0.383521000453E+03 -0.50569E-03 -0.23569E-05 252 0.960E-03 0.599E-03
DAV: 27 -0.383521240587E+03 -0.24013E-03 -0.97409E-06 212 0.586E-03 0.269E-03
DAV: 28 -0.383521329737E+03 -0.89150E-04 -0.42090E-06 236 0.403E-03 0.138E-03
DAV: 29 -0.383521391971E+03 -0.62234E-04 -0.22814E-06 196 0.310E-03 0.167E-03
DAV: 30 -0.383521421115E+03 -0.29144E-04 -0.12784E-06 220 0.216E-03 0.958E-04
DAV: 31 -0.383521438305E+03 -0.17191E-04 -0.86611E-07 220 0.194E-03 0.688E-04
DAV: 32 -0.383521442076E+03 -0.37709E-05 -0.25804E-07 228 0.106E-03
1 F= -.38352144E+03 E0= -.38353482E+03 d E =0.401258E-01