./iterations/neb0_image02_iter287_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 0.365746415020E+03 0.36575E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.154761525907E+01 -0.36420E+03 -0.35240E+03 861 0.196E+02
DAV: 3 -0.956202099373E+02 -0.97168E+02 -0.96834E+02 640 0.116E+02
DAV: 4 -0.100262115701E+03 -0.46419E+01 -0.46312E+01 704 0.294E+01
DAV: 5 -0.100354026368E+03 -0.91911E-01 -0.91874E-01 720 0.372E+00 0.222E+01
DAV: 6 -0.916722395099E+02 0.86818E+01 -0.30953E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908493244303E+02 0.82292E+00 -0.18169E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904704640017E+02 0.37886E+00 -0.54891E-01 704 0.428E+00 0.170E+00
DAV: 9 -0.903872748932E+02 0.83189E-01 -0.13265E-01 720 0.174E+00 0.427E-01
DAV: 10 -0.903835307494E+02 0.37441E-02 -0.47952E-02 712 0.123E+00 0.331E-01
DAV: 11 -0.903880424540E+02 -0.45117E-02 -0.10663E-02 621 0.730E-01 0.117E-01
DAV: 12 -0.903903866280E+02 -0.23442E-02 -0.56050E-03 640 0.365E-01 0.130E-01
DAV: 13 -0.903931485674E+02 -0.27619E-02 -0.20700E-03 786 0.341E-01 0.832E-02
DAV: 14 -0.903963981348E+02 -0.32496E-02 -0.14817E-03 631 0.199E-01 0.796E-02
DAV: 15 -0.903977531708E+02 -0.13550E-02 -0.29929E-04 816 0.129E-01 0.451E-02
DAV: 16 -0.903992157199E+02 -0.14625E-02 -0.84514E-04 656 0.177E-01 0.371E-02
DAV: 17 -0.903998562422E+02 -0.64052E-03 -0.13499E-04 744 0.814E-02 0.286E-02
DAV: 18 -0.903999428911E+02 -0.86649E-04 -0.28177E-05 648 0.290E-02 0.205E-02
DAV: 19 -0.904002532278E+02 -0.31034E-03 -0.81453E-05 624 0.505E-02 0.121E-02
DAV: 20 -0.904003097639E+02 -0.56536E-04 -0.14639E-05 504 0.262E-02 0.730E-03
DAV: 21 -0.904003433065E+02 -0.33543E-04 -0.17519E-05 493 0.244E-02 0.605E-03
DAV: 22 -0.904003706343E+02 -0.27328E-04 -0.41783E-06 466 0.123E-02 0.403E-03
DAV: 23 -0.904003846316E+02 -0.13997E-04 -0.34776E-06 437 0.915E-03 0.204E-03
DAV: 24 -0.904003868493E+02 -0.22178E-05 -0.98449E-07 504 0.650E-03
1 F= -.90400387E+02 E0= -.90407248E+02 d E =0.205837E-01