iterations/neb0_image01_iter143_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 0.365519901769E+03 0.36552E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.322514564694E+01 -0.36229E+03 -0.34937E+03 836 0.195E+02
DAV: 3 -0.956210086020E+02 -0.98846E+02 -0.98498E+02 666 0.116E+02
DAV: 4 -0.100191279485E+03 -0.45703E+01 -0.45593E+01 712 0.287E+01
DAV: 5 -0.100281575515E+03 -0.90296E-01 -0.90250E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916704891410E+02 0.86111E+01 -0.31116E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908765527607E+02 0.79394E+00 -0.18292E+00 712 0.640E+00 0.484E+00
DAV: 8 -0.905010831380E+02 0.37547E+00 -0.55141E-01 704 0.427E+00 0.167E+00
DAV: 9 -0.904183835127E+02 0.82700E-01 -0.13446E-01 712 0.165E+00 0.422E-01
DAV: 10 -0.904136092937E+02 0.47742E-02 -0.46719E-02 720 0.124E+00 0.319E-01
DAV: 11 -0.904175921246E+02 -0.39828E-02 -0.72517E-03 608 0.532E-01 0.127E-01
DAV: 12 -0.904211244871E+02 -0.35324E-02 -0.67906E-03 624 0.467E-01 0.132E-01
DAV: 13 -0.904235592880E+02 -0.24348E-02 -0.15707E-03 856 0.310E-01 0.743E-02
DAV: 14 -0.904266453936E+02 -0.30861E-02 -0.14393E-03 631 0.189E-01 0.650E-02
DAV: 15 -0.904284109539E+02 -0.17656E-02 -0.34083E-04 680 0.113E-01 0.529E-02
DAV: 16 -0.904297571382E+02 -0.13462E-02 -0.98593E-04 653 0.192E-01 0.366E-02
DAV: 17 -0.904305606210E+02 -0.80348E-03 -0.13865E-04 666 0.810E-02 0.310E-02
DAV: 18 -0.904308554669E+02 -0.29485E-03 -0.89882E-05 664 0.484E-02 0.146E-02
DAV: 19 -0.904310301385E+02 -0.17467E-03 -0.65410E-05 644 0.428E-02 0.834E-03
DAV: 20 -0.904310557535E+02 -0.25615E-04 -0.54532E-06 512 0.173E-02 0.865E-03
DAV: 21 -0.904310948693E+02 -0.39116E-04 -0.71147E-06 404 0.150E-02 0.627E-03
DAV: 22 -0.904311065657E+02 -0.11696E-04 -0.48772E-06 480 0.157E-02 0.263E-03
DAV: 23 -0.904311090677E+02 -0.25021E-05 -0.38072E-06 512 0.115E-02
1 F= -.90431109E+02 E0= -.90436451E+02 d E =0.160270E-01