./iterations/neb0_image07_iter58_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 0.423799073838E+04 0.42380E+04 -0.23863E+05 2892 0.117E+03
DAV: 2 -0.428851459786E+03 -0.46668E+04 -0.45690E+04 3369 0.329E+02
DAV: 3 -0.942780130977E+03 -0.51393E+03 -0.51171E+03 3120 0.117E+02
DAV: 4 -0.955024890303E+03 -0.12245E+02 -0.12199E+02 3183 0.195E+01
DAV: 5 -0.955426304732E+03 -0.40141E+00 -0.40089E+00 3201 0.320E+00 0.812E+01
DAV: 6 -0.847376981627E+03 0.10805E+03 -0.47061E+02 3075 0.347E+01 0.376E+01
DAV: 7 -0.846840957633E+03 0.53602E+00 -0.14760E+01 3534 0.639E+00 0.147E+01
DAV: 8 -0.846485485144E+03 0.35547E+00 -0.11562E+00 3174 0.258E+00 0.586E+00
DAV: 9 -0.846411368191E+03 0.74117E-01 -0.54643E-01 3147 0.183E+00 0.162E+00
DAV: 10 -0.846407983830E+03 0.33844E-02 -0.91744E-02 3777 0.114E+00 0.105E+00
DAV: 11 -0.846374100029E+03 0.33884E-01 -0.31780E-02 3255 0.661E-01 0.909E-01
DAV: 12 -0.846366517480E+03 0.75825E-02 -0.29633E-02 3471 0.396E-01 0.767E-01
DAV: 13 -0.846370526104E+03 -0.40086E-02 -0.82067E-02 3912 0.608E-01 0.106E+00
DAV: 14 -0.846359616451E+03 0.10910E-01 -0.17496E-02 3237 0.280E-01 0.929E-01
DAV: 15 -0.846350181927E+03 0.94345E-02 -0.13507E-02 3201 0.325E-01 0.376E-01
DAV: 16 -0.846350522018E+03 -0.34009E-03 -0.13035E-02 3075 0.248E-01 0.315E-01
DAV: 17 -0.846350976379E+03 -0.45436E-03 -0.56109E-03 3273 0.237E-01 0.215E-01
DAV: 18 -0.846351880800E+03 -0.90442E-03 -0.27706E-03 3183 0.155E-01 0.181E-01
DAV: 19 -0.846353776120E+03 -0.18953E-02 -0.22280E-03 3075 0.129E-01 0.105E-01
DAV: 20 -0.846356501808E+03 -0.27257E-02 -0.10387E-03 3120 0.956E-02 0.692E-02
DAV: 21 -0.846358516780E+03 -0.20150E-02 -0.54748E-04 3165 0.594E-02 0.641E-02
DAV: 22 -0.846359921864E+03 -0.14051E-02 -0.30061E-04 3138 0.390E-02 0.346E-02
DAV: 23 -0.846361495610E+03 -0.15737E-02 -0.16695E-04 3066 0.331E-02 0.182E-02
DAV: 24 -0.846361941248E+03 -0.44564E-03 -0.63136E-05 2976 0.213E-02 0.136E-02
DAV: 25 -0.846362236709E+03 -0.29546E-03 -0.19410E-05 2040 0.132E-02 0.874E-03
DAV: 26 -0.846362467616E+03 -0.23091E-03 -0.10823E-05 2022 0.106E-02 0.105E-02
DAV: 27 -0.846362533423E+03 -0.65807E-04 -0.15257E-05 1968 0.815E-03 0.971E-03
DAV: 28 -0.846362551607E+03 -0.18184E-04 -0.47149E-06 2013 0.580E-03 0.336E-03
DAV: 29 -0.846362573029E+03 -0.21422E-04 -0.24384E-06 1941 0.405E-03 0.309E-03
DAV: 30 -0.846362580886E+03 -0.78578E-05 -0.10269E-06 1995 0.235E-03
1 F= -.84636258E+03 E0= -.84641009E+03 d E =0.142538E+00