./iterations/neb0_image08_iter210_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 0.373033309900E+03 0.37303E+03 -0.14276E+04 624 0.799E+02
DAV: 2 0.346374739941E+01 -0.36957E+03 -0.35718E+03 869 0.196E+02
DAV: 3 -0.966145483597E+02 -0.10008E+03 -0.99766E+02 664 0.116E+02
DAV: 4 -0.101211822814E+03 -0.45973E+01 -0.45840E+01 712 0.288E+01
DAV: 5 -0.101302383322E+03 -0.90561E-01 -0.90504E-01 720 0.366E+00 0.226E+01
DAV: 6 -0.926421220274E+02 0.86603E+01 -0.31068E+01 717 0.301E+01 0.118E+01
DAV: 7 -0.917871867687E+02 0.85494E+00 -0.17283E+00 712 0.614E+00 0.478E+00
DAV: 8 -0.914134751591E+02 0.37371E+00 -0.53897E-01 720 0.394E+00 0.162E+00
DAV: 9 -0.913332493654E+02 0.80226E-01 -0.13171E-01 728 0.155E+00 0.419E-01
DAV: 10 -0.913254544972E+02 0.77949E-02 -0.45198E-02 752 0.109E+00 0.302E-01
DAV: 11 -0.913304131883E+02 -0.49587E-02 -0.14449E-02 608 0.626E-01 0.154E-01
DAV: 12 -0.913331465663E+02 -0.27334E-02 -0.27386E-03 636 0.239E-01 0.108E-01
DAV: 13 -0.913367179555E+02 -0.35714E-02 -0.22520E-03 631 0.245E-01 0.495E-02
DAV: 14 -0.913400223560E+02 -0.33044E-02 -0.90944E-04 661 0.192E-01 0.342E-02
DAV: 15 -0.913411963124E+02 -0.11740E-02 -0.23049E-04 688 0.892E-02 0.266E-02
DAV: 16 -0.913420390566E+02 -0.84274E-03 -0.15332E-04 656 0.769E-02 0.999E-03
DAV: 17 -0.913427932203E+02 -0.75416E-03 -0.78193E-05 642 0.382E-02 0.143E-02
DAV: 18 -0.913429885178E+02 -0.19530E-03 -0.16935E-05 528 0.270E-02 0.771E-03
DAV: 19 -0.913431227366E+02 -0.13422E-03 -0.47095E-05 609 0.363E-02 0.846E-03
DAV: 20 -0.913431332149E+02 -0.10478E-04 -0.75569E-06 528 0.278E-02 0.238E-03
DAV: 21 -0.913431401408E+02 -0.69259E-05 -0.45163E-06 423 0.110E-02
1 F= -.91343140E+02 E0= -.91347988E+02 d E =0.145435E-01