iterations/neb0_image07_iter12_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 0.422891846532E+04 0.42289E+04 -0.23854E+05 2892 0.117E+03
DAV: 2 -0.425487268715E+03 -0.46544E+04 -0.45582E+04 3357 0.329E+02
DAV: 3 -0.941331844369E+03 -0.51584E+03 -0.51354E+03 3120 0.118E+02
DAV: 4 -0.953721406351E+03 -0.12390E+02 -0.12342E+02 3183 0.196E+01
DAV: 5 -0.954129794907E+03 -0.40839E+00 -0.40786E+00 3183 0.322E+00 0.809E+01
DAV: 6 -0.845994726081E+03 0.10814E+03 -0.47176E+02 3057 0.347E+01 0.374E+01
DAV: 7 -0.845552329872E+03 0.44240E+00 -0.14311E+01 3534 0.605E+00 0.146E+01
DAV: 8 -0.845208417537E+03 0.34391E+00 -0.93215E-01 3165 0.229E+00 0.600E+00
DAV: 9 -0.845149115533E+03 0.59302E-01 -0.42256E-01 3165 0.148E+00 0.875E-01
DAV: 10 -0.845146493523E+03 0.26220E-02 -0.64270E-02 3138 0.571E-01 0.576E-01
DAV: 11 -0.845141378621E+03 0.51149E-02 -0.72797E-03 3120 0.227E-01 0.308E-01
DAV: 12 -0.845137094411E+03 0.42842E-02 -0.65708E-03 3093 0.247E-01 0.121E-01
DAV: 13 -0.845137166558E+03 -0.72147E-04 -0.43936E-03 3066 0.226E-01 0.139E-01
DAV: 14 -0.845140483249E+03 -0.33167E-02 -0.30583E-03 3075 0.146E-01 0.923E-02
DAV: 15 -0.845144302768E+03 -0.38195E-02 -0.78717E-04 3066 0.799E-02 0.354E-02
DAV: 16 -0.845147692214E+03 -0.33894E-02 -0.69614E-04 3066 0.678E-02 0.357E-02
DAV: 17 -0.845148994037E+03 -0.13018E-02 -0.24806E-04 3120 0.353E-02 0.237E-02
DAV: 18 -0.845149593546E+03 -0.59951E-03 -0.23613E-05 2292 0.139E-02 0.157E-02
DAV: 19 -0.845150297332E+03 -0.70379E-03 -0.50829E-05 2706 0.209E-02 0.656E-03
DAV: 20 -0.845150425638E+03 -0.12831E-03 -0.21279E-05 2130 0.120E-02 0.574E-03
DAV: 21 -0.845150487192E+03 -0.61554E-04 -0.53620E-06 1977 0.561E-03 0.461E-03
DAV: 22 -0.845150519121E+03 -0.31928E-04 -0.34687E-06 1995 0.385E-03 0.234E-03
DAV: 23 -0.845150528347E+03 -0.92268E-05 -0.14626E-06 1995 0.260E-03
1 F= -.84515053E+03 E0= -.84515459E+03 d E =0.121926E-01