./iterations/neb0_image08_iter35_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status:
running
N E dE d eps ncg rms rms(c)
DAV: 1 0.423607698049E+04 0.42361E+04 -0.23861E+05 2892 0.117E+03
DAV: 2 -0.427919137258E+03 -0.46640E+04 -0.45649E+04 3357 0.329E+02
DAV: 3 -0.942753108076E+03 -0.51483E+03 -0.51261E+03 3120 0.118E+02
DAV: 4 -0.955043175769E+03 -0.12290E+02 -0.12244E+02 3183 0.196E+01
DAV: 5 -0.955447215882E+03 -0.40404E+00 -0.40348E+00 3192 0.321E+00 0.812E+01
DAV: 6 -0.847478997710E+03 0.10797E+03 -0.47075E+02 3084 0.347E+01 0.376E+01
DAV: 7 -0.846895895328E+03 0.58310E+00 -0.14736E+01 3498 0.640E+00 0.148E+01
DAV: 8 -0.846574835432E+03 0.32106E+00 -0.13255E+00 3408 0.326E+00 0.613E+00
DAV: 9 -0.846515593921E+03 0.59242E-01 -0.89034E-01 3336 0.244E+00 0.145E+00
DAV: 10 -0.846467034625E+03 0.48559E-01 -0.22619E-01 3183 0.123E+00 0.135E+00
DAV: 11 -0.846452210942E+03 0.14824E-01 -0.24590E-01 3579 0.994E-01 0.152E+00
DAV: 12 -0.846434007099E+03 0.18204E-01 -0.42049E-02 3327 0.486E-01 0.754E-01
DAV: 13 -0.846431979756E+03 0.20273E-02 -0.35581E-02 3264 0.349E-01 0.551E-01
DAV: 14 -0.846427166884E+03 0.48129E-02 -0.31689E-02 3453 0.457E-01 0.557E-01
DAV: 15 -0.846422804412E+03 0.43625E-02 -0.26214E-02 3390 0.286E-01 0.252E-01
DAV: 16 -0.846422104968E+03 0.69944E-03 -0.98777E-03 3075 0.286E-01 0.249E-01
DAV: 17 -0.846422219901E+03 -0.11493E-03 -0.66917E-03 3165 0.223E-01 0.268E-01
DAV: 18 -0.846423319750E+03 -0.10998E-02 -0.34508E-03 3075 0.145E-01 0.133E-01
DAV: 19 -0.846426730133E+03 -0.34104E-02 -0.32727E-03 3129 0.133E-01 0.163E-01
DAV: 20 -0.846428446802E+03 -0.17167E-02 -0.13586E-03 3219 0.109E-01 0.104E-01
DAV: 21 -0.846431265704E+03 -0.28189E-02 -0.14554E-03 3084 0.787E-02 0.877E-02
DAV: 22 -0.846432314918E+03 -0.10492E-02 -0.34846E-04 3273 0.480E-02 0.616E-02
DAV: 23 -0.846433097509E+03 -0.78259E-03 -0.17979E-04 3111 0.301E-02 0.606E-02
DAV: 24 -0.846433701981E+03 -0.60447E-03 -0.94762E-05 2571 0.278E-02 0.309E-02
DAV: 25 -0.846434300266E+03 -0.59828E-03 -0.78200E-05 2967 0.216E-02 0.202E-02
DAV: 26 -0.846434493598E+03 -0.19333E-03 -0.32119E-05 2238 0.126E-02 0.147E-02
DAV: 27 -0.846434601615E+03 -0.10802E-03 -0.82699E-06 2004 0.722E-03 0.874E-03
DAV: 28 -0.846434681872E+03 -0.80257E-04 -0.40881E-06 1977 0.539E-03 0.568E-03
DAV: 29 -0.846434732469E+03 -0.50597E-04 -0.40017E-06 1968 0.551E-03 0.253E-03
DAV: 30 -0.846434742683E+03 -0.10214E-04 -0.20476E-06 1995 0.350E-03 0.213E-03
DAV: 31 -0.846434745190E+03 -0.25072E-05 -0.61912E-07 2013 0.161E-03
1 F= -.84643475E+03 E0= -.84648301E+03 d E =0.144783E+00