./iterations/neb0_image06_iter243_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.370048647425E+03 0.37005E+03 -0.14350E+04 640 0.799E+02
DAV: 2 0.368248098416E+01 -0.36637E+03 -0.35425E+03 866 0.193E+02
DAV: 3 -0.951816439755E+02 -0.98864E+02 -0.98492E+02 656 0.116E+02
DAV: 4 -0.100001931057E+03 -0.48203E+01 -0.48050E+01 728 0.291E+01
DAV: 5 -0.100103512236E+03 -0.10158E+00 -0.10153E+00 712 0.374E+00 0.224E+01
DAV: 6 -0.916027349934E+02 0.85008E+01 -0.30033E+01 701 0.301E+01 0.117E+01
DAV: 7 -0.907830385495E+02 0.81970E+00 -0.17235E+00 728 0.630E+00 0.479E+00
DAV: 8 -0.904118283761E+02 0.37121E+00 -0.56366E-01 704 0.419E+00 0.165E+00
DAV: 9 -0.903252109880E+02 0.86617E-01 -0.12752E-01 720 0.160E+00 0.428E-01
DAV: 10 -0.903155260103E+02 0.96850E-02 -0.35889E-02 720 0.931E-01 0.287E-01
DAV: 11 -0.903197384225E+02 -0.42124E-02 -0.10102E-02 602 0.529E-01 0.155E-01
DAV: 12 -0.903218536932E+02 -0.21153E-02 -0.27561E-03 632 0.306E-01 0.837E-02
DAV: 13 -0.903259436479E+02 -0.40900E-02 -0.19023E-03 633 0.211E-01 0.724E-02
DAV: 14 -0.903284427329E+02 -0.24991E-02 -0.59426E-04 808 0.183E-01 0.282E-02
DAV: 15 -0.903310060194E+02 -0.25633E-02 -0.38302E-04 633 0.948E-02 0.337E-02
DAV: 16 -0.903324790976E+02 -0.14731E-02 -0.19777E-04 714 0.878E-02 0.179E-02
DAV: 17 -0.903333147126E+02 -0.83562E-03 -0.15782E-04 653 0.600E-02 0.162E-02
DAV: 18 -0.903335411777E+02 -0.22647E-03 -0.24685E-05 557 0.300E-02 0.780E-03
DAV: 19 -0.903336513596E+02 -0.11018E-03 -0.31751E-05 573 0.314E-02 0.599E-03
DAV: 20 -0.903336776497E+02 -0.26290E-04 -0.48490E-06 488 0.197E-02 0.232E-03
DAV: 21 -0.903336964830E+02 -0.18833E-04 -0.39618E-06 420 0.955E-03 0.149E-03
DAV: 22 -0.903337027329E+02 -0.62499E-05 -0.78817E-07 461 0.662E-03
1 F= -.90333703E+02 E0= -.90338352E+02 d E =0.139481E-01