./iterations/neb0_image02_iter19_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 0.422976769622E+04 0.42298E+04 -0.23862E+05 2892 0.117E+03
DAV: 2 -0.430116034030E+03 -0.46599E+04 -0.45598E+04 3357 0.329E+02
DAV: 3 -0.943104255122E+03 -0.51299E+03 -0.51078E+03 3120 0.117E+02
DAV: 4 -0.955362125275E+03 -0.12258E+02 -0.12212E+02 3183 0.195E+01
DAV: 5 -0.955766433924E+03 -0.40431E+00 -0.40377E+00 3210 0.320E+00 0.812E+01
DAV: 6 -0.847687962660E+03 0.10808E+03 -0.47124E+02 3066 0.347E+01 0.376E+01
DAV: 7 -0.847227845448E+03 0.46012E+00 -0.14383E+01 3543 0.609E+00 0.146E+01
DAV: 8 -0.846897697222E+03 0.33015E+00 -0.96178E-01 3165 0.238E+00 0.594E+00
DAV: 9 -0.846856481892E+03 0.41215E-01 -0.41146E-01 3192 0.151E+00 0.857E-01
DAV: 10 -0.846863579205E+03 -0.70973E-02 -0.70832E-02 3120 0.598E-01 0.594E-01
DAV: 11 -0.846863685913E+03 -0.10671E-03 -0.65449E-03 3120 0.210E-01 0.335E-01
DAV: 12 -0.846865132431E+03 -0.14465E-02 -0.66678E-03 3039 0.242E-01 0.116E-01
DAV: 13 -0.846868377070E+03 -0.32446E-02 -0.41806E-03 3201 0.208E-01 0.132E-01
DAV: 14 -0.846872201954E+03 -0.38249E-02 -0.27812E-03 3129 0.138E-01 0.919E-02
DAV: 15 -0.846876839407E+03 -0.46375E-02 -0.11797E-03 3084 0.883E-02 0.360E-02
DAV: 16 -0.846879000417E+03 -0.21610E-02 -0.40617E-04 3111 0.482E-02 0.362E-02
DAV: 17 -0.846880057214E+03 -0.10568E-02 -0.20456E-04 3093 0.345E-02 0.248E-02
DAV: 18 -0.846880751224E+03 -0.69401E-03 -0.27568E-05 2382 0.189E-02 0.133E-02
DAV: 19 -0.846881290754E+03 -0.53953E-03 -0.40510E-05 2715 0.213E-02 0.681E-03
DAV: 20 -0.846881383789E+03 -0.93035E-04 -0.29417E-05 2598 0.137E-02 0.662E-03
DAV: 21 -0.846881420653E+03 -0.36864E-04 -0.32965E-06 1986 0.437E-03 0.585E-03
DAV: 22 -0.846881441224E+03 -0.20571E-04 -0.21362E-06 1995 0.352E-03 0.270E-03
DAV: 23 -0.846881449578E+03 -0.83545E-05 -0.17175E-06 1986 0.322E-03
1 F= -.84688145E+03 E0= -.84688531E+03 d E =0.115958E-01