iterations/neb0_image08_iter146_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 0.375039052615E+03 0.37504E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.367425947351E+01 -0.37136E+03 -0.35912E+03 866 0.196E+02
DAV: 3 -0.967160509582E+02 -0.10039E+03 -0.10007E+03 669 0.117E+02
DAV: 4 -0.101245751315E+03 -0.45297E+01 -0.45178E+01 728 0.284E+01
DAV: 5 -0.101334746187E+03 -0.88995E-01 -0.88951E-01 712 0.360E+00 0.228E+01
DAV: 6 -0.926461496060E+02 0.86886E+01 -0.30842E+01 701 0.300E+01 0.119E+01
DAV: 7 -0.917706555894E+02 0.87549E+00 -0.17319E+00 712 0.616E+00 0.481E+00
DAV: 8 -0.913914734071E+02 0.37918E+00 -0.55708E-01 720 0.401E+00 0.161E+00
DAV: 9 -0.913114281217E+02 0.80045E-01 -0.13107E-01 720 0.156E+00 0.422E-01
DAV: 10 -0.913031102481E+02 0.83179E-02 -0.44411E-02 768 0.110E+00 0.301E-01
DAV: 11 -0.913076864094E+02 -0.45762E-02 -0.12376E-02 608 0.580E-01 0.139E-01
DAV: 12 -0.913106826703E+02 -0.29963E-02 -0.27804E-03 622 0.253E-01 0.987E-02
DAV: 13 -0.913140994498E+02 -0.34168E-02 -0.11009E-03 634 0.171E-01 0.490E-02
DAV: 14 -0.913175044987E+02 -0.34050E-02 -0.80978E-04 672 0.177E-01 0.356E-02
DAV: 15 -0.913187635068E+02 -0.12590E-02 -0.19643E-04 696 0.902E-02 0.367E-02
DAV: 16 -0.913201339946E+02 -0.13705E-02 -0.35429E-04 644 0.101E-01 0.183E-02
DAV: 17 -0.913206148764E+02 -0.48088E-03 -0.68852E-05 664 0.573E-02 0.137E-02
DAV: 18 -0.913208572589E+02 -0.24238E-03 -0.49707E-05 642 0.359E-02 0.112E-02
DAV: 19 -0.913209590653E+02 -0.10181E-03 -0.13283E-05 480 0.193E-02 0.556E-03
DAV: 20 -0.913209887566E+02 -0.29691E-04 -0.61128E-06 456 0.141E-02 0.216E-03
DAV: 21 -0.913210132456E+02 -0.24489E-04 -0.49350E-06 406 0.118E-02 0.185E-03
DAV: 22 -0.913210188582E+02 -0.56126E-05 -0.12802E-06 480 0.487E-03
1 F= -.91321019E+02 E0= -.91325844E+02 d E =0.144758E-01