iterations/neb0_image03_iter196_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 0.363851169622E+03 0.36385E+03 -0.14323E+04 632 0.799E+02
DAV: 2 -0.199275631308E-01 -0.36387E+03 -0.35382E+03 858 0.195E+02
DAV: 3 -0.960877035486E+02 -0.96068E+02 -0.95760E+02 666 0.115E+02
DAV: 4 -0.100268044669E+03 -0.41803E+01 -0.41689E+01 712 0.273E+01
DAV: 5 -0.100350403523E+03 -0.82359E-01 -0.82322E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917253906621E+02 0.86250E+01 -0.31014E+01 680 0.298E+01 0.117E+01
DAV: 7 -0.908854856602E+02 0.83991E+00 -0.18287E+00 704 0.638E+00 0.484E+00
DAV: 8 -0.904887368037E+02 0.39675E+00 -0.56521E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903923057621E+02 0.96431E-01 -0.12926E-01 720 0.181E+00 0.445E-01
DAV: 10 -0.903842431356E+02 0.80626E-02 -0.52063E-02 712 0.126E+00 0.352E-01
DAV: 11 -0.903882980862E+02 -0.40550E-02 -0.12289E-02 624 0.734E-01 0.133E-01
DAV: 12 -0.903905089088E+02 -0.22108E-02 -0.57475E-03 629 0.371E-01 0.131E-01
DAV: 13 -0.903941704825E+02 -0.36616E-02 -0.33559E-03 810 0.448E-01 0.832E-02
DAV: 14 -0.903978249741E+02 -0.36545E-02 -0.15171E-03 669 0.236E-01 0.698E-02
DAV: 15 -0.903995631969E+02 -0.17382E-02 -0.27406E-04 672 0.901E-02 0.384E-02
DAV: 16 -0.904017959792E+02 -0.22328E-02 -0.71111E-04 650 0.145E-01 0.331E-02
DAV: 17 -0.904022027507E+02 -0.40677E-03 -0.59769E-05 720 0.663E-02 0.248E-02
DAV: 18 -0.904027904755E+02 -0.58772E-03 -0.30642E-04 687 0.118E-01 0.198E-02
DAV: 19 -0.904030411007E+02 -0.25063E-03 -0.62176E-05 664 0.507E-02 0.895E-03
DAV: 20 -0.904031473282E+02 -0.10623E-03 -0.20556E-05 525 0.214E-02 0.404E-03
DAV: 21 -0.904032205752E+02 -0.73247E-04 -0.14595E-05 455 0.179E-02 0.321E-03
DAV: 22 -0.904032486836E+02 -0.28108E-04 -0.54054E-06 456 0.123E-02 0.310E-03
DAV: 23 -0.904032551560E+02 -0.64725E-05 -0.42644E-06 504 0.156E-02
1 F= -.90403255E+02 E0= -.90408932E+02 d E =0.170293E-01