iterations/neb0_image06_iter42_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 0.377241082027E+03 0.37724E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.475748603048E+01 -0.37248E+03 -0.35923E+03 858 0.196E+02
DAV: 3 -0.956549885226E+02 -0.10041E+03 -0.10008E+03 656 0.117E+02
DAV: 4 -0.100081918819E+03 -0.44269E+01 -0.44153E+01 728 0.290E+01
DAV: 5 -0.100167078652E+03 -0.85160E-01 -0.85133E-01 728 0.363E+00 0.229E+01
DAV: 6 -0.913857231365E+02 0.87814E+01 -0.30667E+01 671 0.306E+01 0.119E+01
DAV: 7 -0.904943485615E+02 0.89137E+00 -0.17402E+00 728 0.638E+00 0.482E+00
DAV: 8 -0.901067437553E+02 0.38760E+00 -0.53249E-01 696 0.405E+00 0.168E+00
DAV: 9 -0.900157903453E+02 0.90953E-01 -0.13045E-01 720 0.189E+00 0.466E-01
DAV: 10 -0.900066410997E+02 0.91492E-02 -0.26010E-02 792 0.839E-01 0.310E-01
DAV: 11 -0.900096738128E+02 -0.30327E-02 -0.21275E-02 672 0.110E+00 0.252E-01
DAV: 12 -0.900096778306E+02 -0.40178E-05 -0.55557E-03 792 0.584E-01 0.149E-01
DAV: 13 -0.900135184604E+02 -0.38406E-02 -0.49671E-03 597 0.371E-01 0.129E-01
DAV: 14 -0.900170842735E+02 -0.35658E-02 -0.24486E-03 714 0.304E-01 0.988E-02
DAV: 15 -0.900198781135E+02 -0.27938E-02 -0.13300E-03 928 0.311E-01 0.328E-02
DAV: 16 -0.900218312875E+02 -0.19532E-02 -0.42625E-04 669 0.107E-01 0.292E-02
DAV: 17 -0.900230735093E+02 -0.12422E-02 -0.14478E-04 693 0.601E-02 0.181E-02
DAV: 18 -0.900237904619E+02 -0.71695E-03 -0.93098E-05 682 0.425E-02 0.698E-03
DAV: 19 -0.900239547561E+02 -0.16429E-03 -0.78842E-06 512 0.134E-02 0.602E-03
DAV: 20 -0.900240899341E+02 -0.13518E-03 -0.20557E-05 494 0.248E-02 0.337E-03
DAV: 21 -0.900241090663E+02 -0.19132E-04 -0.44045E-06 528 0.122E-02 0.444E-03
DAV: 22 -0.900241234646E+02 -0.14398E-04 -0.19746E-06 418 0.857E-03 0.265E-03
DAV: 23 -0.900241365638E+02 -0.13099E-04 -0.25118E-06 422 0.862E-03 0.138E-03
DAV: 24 -0.900241392562E+02 -0.26924E-05 -0.52823E-07 496 0.386E-03
1 F= -.90024139E+02 E0= -.90034940E+02 d E =0.324020E-01