iterations/neb0_image06_iter10_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 0.422463678540E+04 0.42246E+04 -0.23847E+05 2892 0.117E+03 DAV: 2 -0.426142878219E+03 -0.46508E+04 -0.45545E+04 3369 0.329E+02 DAV: 3 -0.940073641426E+03 -0.51393E+03 -0.51159E+03 3120 0.118E+02 DAV: 4 -0.952424574123E+03 -0.12351E+02 -0.12305E+02 3201 0.196E+01 DAV: 5 -0.952825715982E+03 -0.40114E+00 -0.40064E+00 3192 0.320E+00 0.808E+01 DAV: 6 -0.844840622888E+03 0.10799E+03 -0.47188E+02 3048 0.347E+01 0.374E+01 DAV: 7 -0.844404098852E+03 0.43652E+00 -0.14347E+01 3525 0.615E+00 0.146E+01 DAV: 8 -0.844073405479E+03 0.33069E+00 -0.92816E-01 3156 0.229E+00 0.601E+00 DAV: 9 -0.844031539917E+03 0.41866E-01 -0.41353E-01 3183 0.148E+00 0.879E-01 DAV: 10 -0.844032548829E+03 -0.10089E-02 -0.71825E-02 3111 0.599E-01 0.574E-01 DAV: 11 -0.844029636397E+03 0.29124E-02 -0.75503E-03 3129 0.219E-01 0.332E-01 DAV: 12 -0.844027193863E+03 0.24425E-02 -0.71053E-03 3048 0.231E-01 0.124E-01 DAV: 13 -0.844027878538E+03 -0.68467E-03 -0.35500E-03 3102 0.194E-01 0.131E-01 DAV: 14 -0.844030702453E+03 -0.28239E-02 -0.24878E-03 3066 0.133E-01 0.887E-02 DAV: 15 -0.844034714705E+03 -0.40123E-02 -0.78048E-04 3048 0.836E-02 0.405E-02 DAV: 16 -0.844037910691E+03 -0.31960E-02 -0.77759E-04 3084 0.655E-02 0.375E-02 DAV: 17 -0.844038965224E+03 -0.10545E-02 -0.21785E-04 3111 0.363E-02 0.222E-02 DAV: 18 -0.844039534935E+03 -0.56971E-03 -0.30868E-05 2553 0.147E-02 0.146E-02 DAV: 19 -0.844040264184E+03 -0.72925E-03 -0.41273E-05 2625 0.184E-02 0.691E-03 DAV: 20 -0.844040427040E+03 -0.16286E-03 -0.21727E-05 2247 0.130E-02 0.428E-03 DAV: 21 -0.844040503309E+03 -0.76270E-04 -0.60156E-06 1986 0.646E-03 0.421E-03 DAV: 22 -0.844040534451E+03 -0.31142E-04 -0.33130E-06 1995 0.394E-03 0.236E-03 DAV: 23 -0.844040544458E+03 -0.10007E-04 -0.17743E-06 1995 0.289E-03 0.143E-03 DAV: 24 -0.844040546764E+03 -0.23062E-05 -0.70326E-07 2004 0.169E-03 1 F= -.84404055E+03 E0= -.84404463E+03 d E =0.122451E-01