iterations/neb0_image03_iter19_OSZICAR.out output for 745: 733-->741: H2O near HO-Si on SiO2 surface --> H-OSi + OH-Si on SiO2 surface (TSS)
Status: runningN E dE d eps ncg rms rms(c) DAV: 1 0.422993820231E+04 0.42299E+04 -0.23861E+05 2892 0.117E+03 DAV: 2 -0.428892639551E+03 -0.46588E+04 -0.45619E+04 3357 0.329E+02 DAV: 3 -0.942613844641E+03 -0.51372E+03 -0.51148E+03 3120 0.117E+02 DAV: 4 -0.954916044715E+03 -0.12302E+02 -0.12255E+02 3192 0.196E+01 DAV: 5 -0.955321292231E+03 -0.40525E+00 -0.40469E+00 3183 0.321E+00 0.811E+01 DAV: 6 -0.847187235851E+03 0.10813E+03 -0.47123E+02 3048 0.347E+01 0.376E+01 DAV: 7 -0.846709740576E+03 0.47750E+00 -0.14334E+01 3552 0.616E+00 0.146E+01 DAV: 8 -0.846368094962E+03 0.34165E+00 -0.10357E+00 3147 0.251E+00 0.597E+00 DAV: 9 -0.846323938681E+03 0.44156E-01 -0.44966E-01 3174 0.155E+00 0.909E-01 DAV: 10 -0.846328318889E+03 -0.43802E-02 -0.67479E-02 3102 0.593E-01 0.591E-01 DAV: 11 -0.846327749686E+03 0.56920E-03 -0.90550E-03 3129 0.239E-01 0.297E-01 DAV: 12 -0.846328315654E+03 -0.56597E-03 -0.50027E-03 3210 0.213E-01 0.126E-01 DAV: 13 -0.846331589357E+03 -0.32737E-02 -0.34718E-03 3075 0.208E-01 0.119E-01 DAV: 14 -0.846336518148E+03 -0.49288E-02 -0.32537E-03 3138 0.159E-01 0.727E-02 DAV: 15 -0.846339223114E+03 -0.27050E-02 -0.56237E-04 3138 0.584E-02 0.525E-02 DAV: 16 -0.846342178639E+03 -0.29555E-02 -0.47563E-04 3057 0.523E-02 0.277E-02 DAV: 17 -0.846343389832E+03 -0.12112E-02 -0.18643E-04 3093 0.347E-02 0.250E-02 DAV: 18 -0.846344025767E+03 -0.63594E-03 -0.51255E-05 2967 0.225E-02 0.138E-02 DAV: 19 -0.846344570118E+03 -0.54435E-03 -0.23567E-05 2364 0.163E-02 0.563E-03 DAV: 20 -0.846344785487E+03 -0.21537E-03 -0.16142E-05 2112 0.130E-02 0.571E-03 DAV: 21 -0.846344829007E+03 -0.43520E-04 -0.11095E-05 2013 0.820E-03 0.551E-03 DAV: 22 -0.846344840961E+03 -0.11955E-04 -0.25445E-06 2040 0.321E-03 0.414E-03 DAV: 23 -0.846344860426E+03 -0.19464E-04 -0.27959E-06 1959 0.351E-03 0.133E-03 DAV: 24 -0.846344862165E+03 -0.17395E-05 -0.86285E-07 2031 0.179E-03 1 F= -.84634486E+03 E0= -.84634873E+03 d E =0.115959E-01