./iterations/neb0_image02_iter53_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 0.423332994238E+04 0.42333E+04 -0.23865E+05 2892 0.117E+03
DAV: 2 -0.430469742890E+03 -0.46638E+04 -0.45626E+04 3366 0.329E+02
DAV: 3 -0.943339100292E+03 -0.51287E+03 -0.51066E+03 3120 0.117E+02
DAV: 4 -0.955543166025E+03 -0.12204E+02 -0.12159E+02 3192 0.195E+01
DAV: 5 -0.955937968090E+03 -0.39480E+00 -0.39427E+00 3192 0.318E+00 0.812E+01
DAV: 6 -0.847921711561E+03 0.10802E+03 -0.47065E+02 3057 0.347E+01 0.376E+01
DAV: 7 -0.847455744765E+03 0.46597E+00 -0.14361E+01 3534 0.607E+00 0.146E+01
DAV: 8 -0.847121825179E+03 0.33392E+00 -0.95400E-01 3156 0.236E+00 0.593E+00
DAV: 9 -0.847076295572E+03 0.45530E-01 -0.40731E-01 3192 0.151E+00 0.856E-01
DAV: 10 -0.847083415358E+03 -0.71198E-02 -0.72525E-02 3102 0.605E-01 0.592E-01
DAV: 11 -0.847083577226E+03 -0.16187E-03 -0.66652E-03 3120 0.208E-01 0.337E-01
DAV: 12 -0.847085243256E+03 -0.16660E-02 -0.69964E-03 3048 0.240E-01 0.118E-01
DAV: 13 -0.847088816788E+03 -0.35735E-02 -0.43759E-03 3255 0.210E-01 0.135E-01
DAV: 14 -0.847093006192E+03 -0.41894E-02 -0.29013E-03 3102 0.141E-01 0.938E-02
DAV: 15 -0.847097731414E+03 -0.47252E-02 -0.11454E-03 3129 0.832E-02 0.341E-02
DAV: 16 -0.847100125505E+03 -0.23941E-02 -0.42735E-04 3111 0.481E-02 0.369E-02
DAV: 17 -0.847101205479E+03 -0.10800E-02 -0.20642E-04 3093 0.355E-02 0.250E-02
DAV: 18 -0.847101895702E+03 -0.69022E-03 -0.30193E-05 2463 0.192E-02 0.134E-02
DAV: 19 -0.847102456168E+03 -0.56047E-03 -0.39344E-05 2688 0.212E-02 0.694E-03
DAV: 20 -0.847102559677E+03 -0.10351E-03 -0.30031E-05 2616 0.140E-02 0.639E-03
DAV: 21 -0.847102598019E+03 -0.38342E-04 -0.33776E-06 1986 0.441E-03 0.564E-03
DAV: 22 -0.847102618882E+03 -0.20864E-04 -0.21002E-06 1995 0.341E-03 0.255E-03
DAV: 23 -0.847102627247E+03 -0.83650E-05 -0.16474E-06 1986 0.313E-03
1 F= -.84710263E+03 E0= -.84710649E+03 d E =0.115958E-01