./iterations/neb0_image02_iter96_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 0.367883674584E+03 0.36788E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.467993712550E+01 -0.36320E+03 -0.34850E+03 834 0.195E+02
DAV: 3 -0.954902488408E+02 -0.10017E+03 -0.99837E+02 672 0.116E+02
DAV: 4 -0.100172484962E+03 -0.46822E+01 -0.46713E+01 712 0.287E+01
DAV: 5 -0.100264974573E+03 -0.92490E-01 -0.92447E-01 728 0.360E+00 0.222E+01
DAV: 6 -0.916594462822E+02 0.86055E+01 -0.30902E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908395647949E+02 0.81988E+00 -0.18283E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904541151924E+02 0.38545E+00 -0.55614E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903640460611E+02 0.90069E-01 -0.13914E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903576434687E+02 0.64026E-02 -0.47183E-02 704 0.128E+00 0.322E-01
DAV: 11 -0.903613402170E+02 -0.36967E-02 -0.72967E-03 616 0.490E-01 0.146E-01
DAV: 12 -0.903646795722E+02 -0.33394E-02 -0.70063E-03 616 0.462E-01 0.129E-01
DAV: 13 -0.903674743372E+02 -0.27948E-02 -0.14139E-03 968 0.321E-01 0.797E-02
DAV: 14 -0.903705416802E+02 -0.30673E-02 -0.13464E-03 634 0.176E-01 0.561E-02
DAV: 15 -0.903728809446E+02 -0.23393E-02 -0.40576E-04 688 0.115E-01 0.421E-02
DAV: 16 -0.903742121516E+02 -0.13312E-02 -0.57335E-04 656 0.134E-01 0.306E-02
DAV: 17 -0.903751187276E+02 -0.90658E-03 -0.16724E-04 818 0.859E-02 0.185E-02
DAV: 18 -0.903752508533E+02 -0.13213E-03 -0.32376E-05 648 0.311E-02 0.109E-02
DAV: 19 -0.903754894831E+02 -0.23863E-03 -0.44934E-05 625 0.326E-02 0.455E-03
DAV: 20 -0.903755205072E+02 -0.31024E-04 -0.27474E-06 488 0.104E-02 0.449E-03
DAV: 21 -0.903755655369E+02 -0.45030E-04 -0.69580E-06 417 0.164E-02 0.383E-03
DAV: 22 -0.903755857006E+02 -0.20164E-04 -0.37040E-06 477 0.105E-02 0.260E-03
DAV: 23 -0.903755887309E+02 -0.30302E-05 -0.24679E-06 496 0.878E-03
1 F= -.90375589E+02 E0= -.90381103E+02 d E =0.165417E-01