iterations/neb0_image02_iter283_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 0.365394984688E+03 0.36539E+03 -0.14296E+04 624 0.799E+02
DAV: 2 0.150169496699E+01 -0.36389E+03 -0.35222E+03 861 0.195E+02
DAV: 3 -0.955980553194E+02 -0.97100E+02 -0.96766E+02 640 0.116E+02
DAV: 4 -0.100236540251E+03 -0.46385E+01 -0.46276E+01 712 0.294E+01
DAV: 5 -0.100328822631E+03 -0.92282E-01 -0.92248E-01 728 0.372E+00 0.222E+01
DAV: 6 -0.916662629238E+02 0.86626E+01 -0.30926E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908467500083E+02 0.81951E+00 -0.18170E+00 712 0.636E+00 0.485E+00
DAV: 8 -0.904686310570E+02 0.37812E+00 -0.54689E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903848380653E+02 0.83793E-01 -0.12725E-01 720 0.188E+00 0.432E-01
DAV: 10 -0.903807546116E+02 0.40835E-02 -0.42269E-02 712 0.112E+00 0.329E-01
DAV: 11 -0.903846944478E+02 -0.39398E-02 -0.83458E-03 613 0.723E-01 0.124E-01
DAV: 12 -0.903869705041E+02 -0.22761E-02 -0.54415E-03 629 0.396E-01 0.118E-01
DAV: 13 -0.903903055610E+02 -0.33351E-02 -0.23333E-03 725 0.306E-01 0.815E-02
DAV: 14 -0.903936316768E+02 -0.33261E-02 -0.11964E-03 623 0.165E-01 0.646E-02
DAV: 15 -0.903950484884E+02 -0.14168E-02 -0.27890E-04 768 0.124E-01 0.287E-02
DAV: 16 -0.903968237271E+02 -0.17752E-02 -0.52129E-04 717 0.142E-01 0.362E-02
DAV: 17 -0.903973135832E+02 -0.48986E-03 -0.17656E-04 832 0.103E-01 0.215E-02
DAV: 18 -0.903974296837E+02 -0.11610E-03 -0.56743E-05 736 0.415E-02 0.146E-02
DAV: 19 -0.903977187403E+02 -0.28906E-03 -0.52555E-05 630 0.432E-02 0.626E-03
DAV: 20 -0.903978181125E+02 -0.99372E-04 -0.12948E-05 480 0.210E-02 0.571E-03
DAV: 21 -0.903978722803E+02 -0.54168E-04 -0.59882E-06 453 0.117E-02 0.293E-03
DAV: 22 -0.903979017497E+02 -0.29469E-04 -0.79848E-06 439 0.158E-02 0.268E-03
DAV: 23 -0.903979060966E+02 -0.43469E-05 -0.13740E-06 512 0.674E-03
1 F= -.90397906E+02 E0= -.90406371E+02 d E =0.253945E-01