iterations/neb0_image08_iter58_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 0.423671423993E+04 0.42367E+04 -0.23863E+05 2892 0.117E+03 DAV: 2 -0.428232991482E+03 -0.46649E+04 -0.45657E+04 3369 0.329E+02 DAV: 3 -0.942884921807E+03 -0.51465E+03 -0.51247E+03 3120 0.118E+02 DAV: 4 -0.955141905162E+03 -0.12257E+02 -0.12211E+02 3183 0.196E+01 DAV: 5 -0.955544948915E+03 -0.40304E+00 -0.40251E+00 3192 0.321E+00 0.813E+01 DAV: 6 -0.847601970376E+03 0.10794E+03 -0.47123E+02 3084 0.348E+01 0.376E+01 DAV: 7 -0.846952803988E+03 0.64917E+00 -0.14804E+01 3516 0.648E+00 0.148E+01 DAV: 8 -0.846665876233E+03 0.28693E+00 -0.21665E+00 3183 0.363E+00 0.605E+00 DAV: 9 -0.846560227678E+03 0.10565E+00 -0.77475E-01 3390 0.214E+00 0.158E+00 DAV: 10 -0.846521715570E+03 0.38512E-01 -0.16883E-01 3480 0.123E+00 0.126E+00 DAV: 11 -0.846498744404E+03 0.22971E-01 -0.10313E-01 3561 0.929E-01 0.102E+00 DAV: 12 -0.846487646652E+03 0.11098E-01 -0.98079E-02 3552 0.588E-01 0.609E-01 DAV: 13 -0.846482112969E+03 0.55337E-02 -0.28240E-02 3228 0.384E-01 0.435E-01 DAV: 14 -0.846479137313E+03 0.29757E-02 -0.22188E-02 3426 0.286E-01 0.310E-01 DAV: 15 -0.846478286521E+03 0.85079E-03 -0.19078E-02 3480 0.362E-01 0.406E-01 DAV: 16 -0.846476546906E+03 0.17396E-02 -0.66661E-03 3129 0.207E-01 0.210E-01 DAV: 17 -0.846477008866E+03 -0.46196E-03 -0.45219E-03 3003 0.161E-01 0.119E-01 DAV: 18 -0.846478971765E+03 -0.19629E-02 -0.26123E-03 3183 0.142E-01 0.103E-01 DAV: 19 -0.846481861805E+03 -0.28900E-02 -0.16432E-03 3075 0.941E-02 0.590E-02 DAV: 20 -0.846485822872E+03 -0.39611E-02 -0.65821E-04 3075 0.715E-02 0.324E-02 DAV: 21 -0.846487695336E+03 -0.18725E-02 -0.35455E-04 3120 0.445E-02 0.446E-02 DAV: 22 -0.846488445992E+03 -0.75066E-03 -0.90544E-05 3021 0.215E-02 0.242E-02 DAV: 23 -0.846489067023E+03 -0.62103E-03 -0.36731E-05 2472 0.201E-02 0.143E-02 DAV: 24 -0.846489640444E+03 -0.57342E-03 -0.45255E-05 2517 0.239E-02 0.147E-02 DAV: 25 -0.846489733684E+03 -0.93240E-04 -0.22587E-05 2004 0.113E-02 0.641E-03 DAV: 26 -0.846489808717E+03 -0.75033E-04 -0.66778E-06 1950 0.537E-03 0.441E-03 DAV: 27 -0.846489862235E+03 -0.53518E-04 -0.22194E-06 1968 0.427E-03 0.313E-03 DAV: 28 -0.846489891356E+03 -0.29121E-04 -0.20555E-06 1959 0.533E-03 0.156E-03 DAV: 29 -0.846489900471E+03 -0.91146E-05 -0.16355E-06 1977 0.317E-03 1 F= -.84648990E+03 E0= -.84653984E+03 d E =0.149808E+00