iterations/neb0_image09_iter219_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 0.374001593873E+03 0.37400E+03 -0.14280E+04 624 0.799E+02
DAV: 2 0.328747759089E+01 -0.37071E+03 -0.35811E+03 869 0.196E+02
DAV: 3 -0.967190529579E+02 -0.10001E+03 -0.99678E+02 661 0.117E+02
DAV: 4 -0.101252281723E+03 -0.45332E+01 -0.45226E+01 720 0.287E+01
DAV: 5 -0.101341313476E+03 -0.89032E-01 -0.88991E-01 720 0.365E+00 0.227E+01
DAV: 6 -0.926745868234E+02 0.86667E+01 -0.30990E+01 728 0.300E+01 0.119E+01
DAV: 7 -0.918091796902E+02 0.86541E+00 -0.17152E+00 720 0.612E+00 0.479E+00
DAV: 8 -0.914340120611E+02 0.37517E+00 -0.54422E-01 712 0.395E+00 0.162E+00
DAV: 9 -0.913533323273E+02 0.80680E-01 -0.13157E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913452057751E+02 0.81266E-02 -0.43859E-02 752 0.109E+00 0.300E-01
DAV: 11 -0.913495194663E+02 -0.43137E-02 -0.11627E-02 608 0.560E-01 0.131E-01
DAV: 12 -0.913528227217E+02 -0.33033E-02 -0.28946E-03 623 0.245E-01 0.109E-01
DAV: 13 -0.913562370961E+02 -0.34144E-02 -0.11691E-03 682 0.190E-01 0.428E-02
DAV: 14 -0.913594046327E+02 -0.31675E-02 -0.70662E-04 664 0.140E-01 0.391E-02
DAV: 15 -0.913608142969E+02 -0.14097E-02 -0.14298E-04 736 0.815E-02 0.327E-02
DAV: 16 -0.913622809671E+02 -0.14667E-02 -0.32483E-04 656 0.859E-02 0.174E-02
DAV: 17 -0.913627238673E+02 -0.44290E-03 -0.72129E-05 712 0.563E-02 0.121E-02
DAV: 18 -0.913629563976E+02 -0.23253E-03 -0.37868E-05 573 0.263E-02 0.908E-03
DAV: 19 -0.913629969480E+02 -0.40550E-04 -0.76196E-06 512 0.165E-02 0.400E-03
DAV: 20 -0.913630278069E+02 -0.30859E-04 -0.75679E-06 415 0.166E-02 0.209E-03
DAV: 21 -0.913630385962E+02 -0.10789E-04 -0.19695E-06 480 0.681E-03 0.232E-03
DAV: 22 -0.913630433703E+02 -0.47740E-05 -0.59509E-07 437 0.494E-03
1 F= -.91363043E+02 E0= -.91367764E+02 d E =0.141604E-01