./iterations/neb0_image05_iter267_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 0.367233986907E+03 0.36723E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.447049649269E+01 -0.36276E+03 -0.34914E+03 845 0.195E+02
DAV: 3 -0.953545889393E+02 -0.99825E+02 -0.99474E+02 653 0.117E+02
DAV: 4 -0.100152334480E+03 -0.47977E+01 -0.47865E+01 712 0.298E+01
DAV: 5 -0.100246092676E+03 -0.93758E-01 -0.93712E-01 736 0.375E+00 0.222E+01
DAV: 6 -0.916033998023E+02 0.86427E+01 -0.31138E+01 696 0.300E+01 0.117E+01
DAV: 7 -0.907811967741E+02 0.82220E+00 -0.17608E+00 712 0.625E+00 0.483E+00
DAV: 8 -0.904031316532E+02 0.37807E+00 -0.54985E-01 728 0.428E+00 0.167E+00
DAV: 9 -0.903148686261E+02 0.88263E-01 -0.12743E-01 728 0.166E+00 0.435E-01
DAV: 10 -0.903062196444E+02 0.86490E-02 -0.42472E-02 728 0.115E+00 0.323E-01
DAV: 11 -0.903086902585E+02 -0.24706E-02 -0.47977E-03 608 0.450E-01 0.157E-01
DAV: 12 -0.903122003918E+02 -0.35101E-02 -0.91713E-03 621 0.526E-01 0.161E-01
DAV: 13 -0.903138536854E+02 -0.16533E-02 -0.16350E-03 776 0.279E-01 0.932E-02
DAV: 14 -0.903186018163E+02 -0.47481E-02 -0.30390E-03 656 0.314E-01 0.773E-02
DAV: 15 -0.903208442512E+02 -0.22424E-02 -0.37618E-04 717 0.117E-01 0.638E-02
DAV: 16 -0.903232333146E+02 -0.23891E-02 -0.11138E-03 658 0.202E-01 0.311E-02
DAV: 17 -0.903240769897E+02 -0.84368E-03 -0.15527E-04 704 0.773E-02 0.282E-02
DAV: 18 -0.903246579271E+02 -0.58094E-03 -0.10931E-04 639 0.552E-02 0.166E-02
DAV: 19 -0.903249040323E+02 -0.24611E-03 -0.57020E-05 680 0.402E-02 0.809E-03
DAV: 20 -0.903249904004E+02 -0.86368E-04 -0.84386E-06 479 0.183E-02 0.562E-03
DAV: 21 -0.903250399199E+02 -0.49520E-04 -0.13722E-05 417 0.194E-02 0.473E-03
DAV: 22 -0.903250501724E+02 -0.10252E-04 -0.43859E-06 488 0.146E-02 0.256E-03
DAV: 23 -0.903250530163E+02 -0.28439E-05 -0.20665E-06 409 0.787E-03
1 F= -.90325053E+02 E0= -.90333441E+02 d E =0.251628E-01