./iterations/neb0_image05_iter49_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 0.422806066867E+04 0.42281E+04 -0.23876E+05 2901 0.117E+03
DAV: 2 -0.428234262473E+03 -0.46563E+04 -0.45608E+04 3360 0.329E+02
DAV: 3 -0.942198641677E+03 -0.51396E+03 -0.51170E+03 3120 0.117E+02
DAV: 4 -0.954510244762E+03 -0.12312E+02 -0.12265E+02 3183 0.196E+01
DAV: 5 -0.954915061267E+03 -0.40482E+00 -0.40427E+00 3183 0.321E+00 0.811E+01
DAV: 6 -0.846899244240E+03 0.10802E+03 -0.46979E+02 3057 0.347E+01 0.375E+01
DAV: 7 -0.846399782988E+03 0.49946E+00 -0.14588E+01 3543 0.611E+00 0.146E+01
DAV: 8 -0.846016631121E+03 0.38315E+00 -0.98794E-01 3165 0.240E+00 0.597E+00
DAV: 9 -0.845924166093E+03 0.92465E-01 -0.44606E-01 3201 0.168E+00 0.120E+00
DAV: 10 -0.845920018841E+03 0.41473E-02 -0.93120E-02 3534 0.820E-01 0.936E-01
DAV: 11 -0.845903714176E+03 0.16305E-01 -0.18418E-02 3354 0.500E-01 0.804E-01
DAV: 12 -0.845896257674E+03 0.74565E-02 -0.10529E-02 3525 0.293E-01 0.478E-01
DAV: 13 -0.845884815127E+03 0.11443E-01 -0.10462E-02 3264 0.432E-01 0.486E-01
DAV: 14 -0.845883602483E+03 0.12126E-02 -0.53990E-03 3093 0.143E-01 0.476E-01
DAV: 15 -0.845883010964E+03 0.59152E-03 -0.14479E-04 3156 0.240E-02 0.473E-01
DAV: 16 -0.845885598655E+03 -0.25877E-02 -0.12748E-04 3741 0.138E-01 0.443E-01
DAV: 17 -0.845887850414E+03 -0.22518E-02 -0.57767E-03 3822 0.411E-01 0.349E-01
DAV: 18 -0.845890213491E+03 -0.23631E-02 -0.48077E-03 3246 0.266E-01 0.426E-01
DAV: 19 -0.845891276516E+03 -0.10630E-02 -0.27698E-03 3660 0.263E-01 0.409E-01
DAV: 20 -0.845893752799E+03 -0.24763E-02 -0.23154E-03 3804 0.317E-01 0.358E-01
DAV: 21 -0.845898463205E+03 -0.47104E-02 -0.23345E-03 4065 0.425E-01 0.321E-01
DAV: 22 -0.845906849008E+03 -0.83858E-02 -0.46715E-03 4362 0.739E-01 0.292E-01
DAV: 23 -0.845912821684E+03 -0.59727E-02 -0.11062E-02 3309 0.477E-01 0.320E-01
DAV: 24 -0.845909975465E+03 0.28462E-02 -0.71158E-03 3075 0.289E-01 0.333E-01
DAV: 25 -0.845909860800E+03 0.11467E-03 -0.73577E-04 3120 0.476E-02 0.327E-01
DAV: 26 -0.845909890209E+03 -0.29410E-04 -0.20314E-05 2211 0.833E-03 0.325E-01
DAV: 27 -0.845907077584E+03 0.28126E-02 -0.33888E-04 4200 0.291E-01 0.308E-01
DAV: 28 -0.845902859117E+03 0.42185E-02 -0.30560E-03 4317 0.685E-01 0.310E-01
DAV: 29 -0.845904003398E+03 -0.11443E-02 -0.42494E-03 3048 0.134E-01 0.228E-01
DAV: 30 -0.845904142643E+03 -0.13925E-03 -0.39602E-04 3138 0.393E-02 0.228E-01
DAV: 31 -0.845904054991E+03 0.87652E-04 -0.98515E-05 3003 0.286E-02 0.211E-01
DAV: 32 -0.845903407828E+03 0.64716E-03 -0.41759E-04 4434 0.224E-01 0.168E-01
DAV: 33 -0.845902970280E+03 0.43755E-03 -0.12530E-03 4407 0.226E-01 0.156E-01
DAV: 34 -0.845903127737E+03 -0.15746E-03 -0.10710E-03 3129 0.536E-02 0.142E-01
DAV: 35 -0.845903135418E+03 -0.76814E-05 -0.15933E-05 2058 0.755E-03
1 F= -.84590314E+03 E0= -.84592066E+03 d E =0.525637E-01