iterations/neb0_image04_iter60_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 0.370886417607E+03 0.37089E+03 -0.14314E+04 632 0.799E+02
DAV: 2 0.452686745617E+01 -0.36636E+03 -0.35381E+03 853 0.195E+02
DAV: 3 -0.951521290018E+02 -0.99679E+02 -0.99347E+02 674 0.116E+02
DAV: 4 -0.996689568665E+02 -0.45168E+01 -0.45066E+01 704 0.282E+01
DAV: 5 -0.997576613233E+02 -0.88704E-01 -0.88655E-01 728 0.355E+00 0.222E+01
DAV: 6 -0.912702340951E+02 0.84874E+01 -0.30024E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.904287685523E+02 0.84147E+00 -0.17665E+00 712 0.630E+00 0.479E+00
DAV: 8 -0.900335504467E+02 0.39522E+00 -0.55865E-01 704 0.427E+00 0.166E+00
DAV: 9 -0.899388426765E+02 0.94708E-01 -0.13617E-01 712 0.179E+00 0.445E-01
DAV: 10 -0.899288443709E+02 0.99983E-02 -0.52214E-02 720 0.132E+00 0.339E-01
DAV: 11 -0.899325440451E+02 -0.36997E-02 -0.13074E-02 629 0.642E-01 0.141E-01
DAV: 12 -0.899342332574E+02 -0.16892E-02 -0.37274E-03 658 0.295E-01 0.123E-01
DAV: 13 -0.899383577427E+02 -0.41245E-02 -0.28163E-03 850 0.416E-01 0.706E-02
DAV: 14 -0.899415473942E+02 -0.31897E-02 -0.11144E-03 653 0.170E-01 0.571E-02
DAV: 15 -0.899435038774E+02 -0.19565E-02 -0.36595E-04 824 0.124E-01 0.254E-02
DAV: 16 -0.899453360873E+02 -0.18322E-02 -0.34564E-04 661 0.951E-02 0.278E-02
DAV: 17 -0.899460769581E+02 -0.74087E-03 -0.53884E-05 616 0.402E-02 0.209E-02
DAV: 18 -0.899465644090E+02 -0.48745E-03 -0.17974E-04 642 0.789E-02 0.144E-02
DAV: 19 -0.899466175505E+02 -0.53141E-04 -0.13367E-05 520 0.308E-02 0.891E-03
DAV: 20 -0.899467102807E+02 -0.92730E-04 -0.40707E-05 609 0.361E-02 0.623E-03
DAV: 21 -0.899467481533E+02 -0.37873E-04 -0.50196E-06 456 0.176E-02 0.317E-03
DAV: 22 -0.899467638936E+02 -0.15740E-04 -0.60308E-06 482 0.131E-02 0.202E-03
DAV: 23 -0.899467713427E+02 -0.74491E-05 -0.16759E-06 437 0.652E-03
1 F= -.89946771E+02 E0= -.89952218E+02 d E =0.163387E-01