./iterations/neb0_image01_iter108_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 0.366101952345E+03 0.36610E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.336398539998E+01 -0.36274E+03 -0.34943E+03 839 0.195E+02
DAV: 3 -0.956599949815E+02 -0.99024E+02 -0.98679E+02 677 0.116E+02
DAV: 4 -0.100175197027E+03 -0.45152E+01 -0.45055E+01 693 0.283E+01
DAV: 5 -0.100265757517E+03 -0.90560E-01 -0.90507E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916769171886E+02 0.85888E+01 -0.31051E+01 685 0.298E+01 0.117E+01
DAV: 7 -0.908701777229E+02 0.80674E+00 -0.18153E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.904911860933E+02 0.37899E+00 -0.55989E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904074837150E+02 0.83702E-01 -0.13448E-01 704 0.163E+00 0.427E-01
DAV: 10 -0.904022689269E+02 0.52148E-02 -0.45251E-02 728 0.124E+00 0.315E-01
DAV: 11 -0.904061688234E+02 -0.38999E-02 -0.65755E-03 608 0.479E-01 0.139E-01
DAV: 12 -0.904097374225E+02 -0.35686E-02 -0.68357E-03 629 0.479E-01 0.127E-01
DAV: 13 -0.904123970784E+02 -0.26597E-02 -0.14189E-03 848 0.307E-01 0.751E-02
DAV: 14 -0.904153553128E+02 -0.29582E-02 -0.13836E-03 634 0.176E-01 0.580E-02
DAV: 15 -0.904173939700E+02 -0.20387E-02 -0.37489E-04 680 0.118E-01 0.451E-02
DAV: 16 -0.904187339470E+02 -0.13400E-02 -0.74335E-04 653 0.159E-01 0.350E-02
DAV: 17 -0.904195360601E+02 -0.80211E-03 -0.17725E-04 853 0.946E-02 0.207E-02
DAV: 18 -0.904196870367E+02 -0.15098E-03 -0.37171E-05 704 0.315E-02 0.136E-02
DAV: 19 -0.904199336330E+02 -0.24660E-03 -0.65583E-05 633 0.423E-02 0.639E-03
DAV: 20 -0.904199501444E+02 -0.16511E-04 -0.49789E-06 504 0.136E-02 0.642E-03
DAV: 21 -0.904199878637E+02 -0.37719E-04 -0.59933E-06 414 0.152E-02 0.390E-03
DAV: 22 -0.904200059972E+02 -0.18133E-04 -0.40419E-06 477 0.112E-02 0.247E-03
DAV: 23 -0.904200083400E+02 -0.23428E-05 -0.18987E-06 528 0.790E-03
1 F= -.90420008E+02 E0= -.90425144E+02 d E =0.154063E-01