./iterations/neb0_image01_iter230_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 0.365323527927E+03 0.36532E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.321655002332E+01 -0.36211E+03 -0.34903E+03 839 0.196E+02
DAV: 3 -0.954126919858E+02 -0.98629E+02 -0.98285E+02 645 0.116E+02
DAV: 4 -0.100211683252E+03 -0.47990E+01 -0.47873E+01 704 0.297E+01
DAV: 5 -0.100307626492E+03 -0.95943E-01 -0.95892E-01 728 0.377E+00 0.222E+01
DAV: 6 -0.916908375022E+02 0.86168E+01 -0.30930E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908891622015E+02 0.80168E+00 -0.18292E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905135037674E+02 0.37566E+00 -0.55194E-01 704 0.429E+00 0.167E+00
DAV: 9 -0.904306582049E+02 0.82846E-01 -0.13286E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904260982224E+02 0.45600E-02 -0.47034E-02 728 0.124E+00 0.321E-01
DAV: 11 -0.904301317010E+02 -0.40335E-02 -0.74644E-03 608 0.549E-01 0.123E-01
DAV: 12 -0.904336471580E+02 -0.35155E-02 -0.68205E-03 637 0.462E-01 0.135E-01
DAV: 13 -0.904360267050E+02 -0.23795E-02 -0.17067E-03 861 0.317E-01 0.749E-02
DAV: 14 -0.904391646761E+02 -0.31380E-02 -0.14464E-03 642 0.189E-01 0.678E-02
DAV: 15 -0.904408709559E+02 -0.17063E-02 -0.31734E-04 680 0.111E-01 0.550E-02
DAV: 16 -0.904422510754E+02 -0.13801E-02 -0.10446E-03 669 0.198E-01 0.368E-02
DAV: 17 -0.904430493602E+02 -0.79828E-03 -0.13589E-04 661 0.784E-02 0.328E-02
DAV: 18 -0.904433780742E+02 -0.32871E-03 -0.10172E-04 672 0.520E-02 0.152E-02
DAV: 19 -0.904435328433E+02 -0.15477E-03 -0.69550E-05 645 0.445E-02 0.913E-03
DAV: 20 -0.904435647624E+02 -0.31919E-04 -0.46974E-06 512 0.154E-02 0.935E-03
DAV: 21 -0.904436043124E+02 -0.39550E-04 -0.79846E-06 401 0.162E-02 0.576E-03
DAV: 22 -0.904436108739E+02 -0.65615E-05 -0.58416E-06 480 0.152E-02
1 F= -.90443611E+02 E0= -.90449328E+02 d E =0.171521E-01