iterations/neb0_image05_iter86_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 0.373223187396E+03 0.37322E+03 -0.14306E+04 632 0.799E+02
DAV: 2 0.342290218176E+01 -0.36980E+03 -0.35747E+03 885 0.194E+02
DAV: 3 -0.941228432503E+02 -0.97546E+02 -0.97201E+02 637 0.116E+02
DAV: 4 -0.986859727169E+02 -0.45631E+01 -0.45520E+01 704 0.296E+01
DAV: 5 -0.987852738574E+02 -0.99301E-01 -0.99258E-01 728 0.386E+00 0.218E+01
DAV: 6 -0.904989354838E+02 0.82863E+01 -0.28663E+01 701 0.289E+01 0.112E+01
DAV: 7 -0.896317866337E+02 0.86715E+00 -0.18030E+00 720 0.680E+00 0.468E+00
DAV: 8 -0.892427917839E+02 0.38899E+00 -0.62331E-01 712 0.449E+00 0.155E+00
DAV: 9 -0.891596035547E+02 0.83188E-01 -0.12298E-01 728 0.164E+00 0.446E-01
DAV: 10 -0.891474930021E+02 0.12111E-01 -0.48885E-02 720 0.120E+00 0.336E-01
DAV: 11 -0.891488305667E+02 -0.13376E-02 -0.97969E-03 637 0.568E-01 0.117E-01
DAV: 12 -0.891511428450E+02 -0.23123E-02 -0.35294E-03 680 0.318E-01 0.123E-01
DAV: 13 -0.891566989167E+02 -0.55561E-02 -0.18698E-03 834 0.310E-01 0.654E-02
DAV: 14 -0.891592904902E+02 -0.25916E-02 -0.79219E-04 658 0.131E-01 0.468E-02
DAV: 15 -0.891622208534E+02 -0.29304E-02 -0.62792E-04 757 0.142E-01 0.316E-02
DAV: 16 -0.891633358768E+02 -0.11150E-02 -0.10955E-04 688 0.545E-02 0.226E-02
DAV: 17 -0.891644076053E+02 -0.10717E-02 -0.16403E-04 652 0.637E-02 0.103E-02
DAV: 18 -0.891648495546E+02 -0.44195E-03 -0.50846E-05 653 0.340E-02 0.812E-03
DAV: 19 -0.891649372974E+02 -0.87743E-04 -0.96715E-06 504 0.210E-02 0.401E-03
DAV: 20 -0.891650408961E+02 -0.10360E-03 -0.20659E-05 481 0.228E-02 0.570E-03
DAV: 21 -0.891650610052E+02 -0.20109E-04 -0.29313E-06 488 0.108E-02 0.378E-03
DAV: 22 -0.891650672154E+02 -0.62103E-05 -0.41579E-06 440 0.120E-02
1 F= -.89165067E+02 E0= -.89169087E+02 d E =0.120589E-01