iterations/neb0_image05_iter72_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 0.373216123556E+03 0.37322E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.393945035312E+01 -0.36928E+03 -0.35736E+03 877 0.195E+02
DAV: 3 -0.938883038829E+02 -0.97828E+02 -0.97473E+02 640 0.116E+02
DAV: 4 -0.985642307869E+02 -0.46759E+01 -0.46638E+01 704 0.298E+01
DAV: 5 -0.986658588912E+02 -0.10163E+00 -0.10159E+00 736 0.390E+00 0.218E+01
DAV: 6 -0.904237896813E+02 0.82421E+01 -0.28741E+01 685 0.288E+01 0.112E+01
DAV: 7 -0.895840993564E+02 0.83969E+00 -0.17672E+00 712 0.656E+00 0.467E+00
DAV: 8 -0.892045520938E+02 0.37955E+00 -0.59373E-01 696 0.431E+00 0.154E+00
DAV: 9 -0.891221115290E+02 0.82441E-01 -0.12353E-01 720 0.159E+00 0.430E-01
DAV: 10 -0.891113423162E+02 0.10769E-01 -0.48588E-02 717 0.117E+00 0.332E-01
DAV: 11 -0.891136822535E+02 -0.23399E-02 -0.10406E-02 640 0.581E-01 0.116E-01
DAV: 12 -0.891159026661E+02 -0.22204E-02 -0.31561E-03 650 0.284E-01 0.117E-01
DAV: 13 -0.891213640049E+02 -0.54613E-02 -0.20474E-03 804 0.308E-01 0.659E-02
DAV: 14 -0.891236184770E+02 -0.22545E-02 -0.63789E-04 688 0.124E-01 0.455E-02
DAV: 15 -0.891267078338E+02 -0.30894E-02 -0.85349E-04 682 0.166E-01 0.351E-02
DAV: 16 -0.891275376615E+02 -0.82983E-03 -0.10210E-04 784 0.695E-02 0.206E-02
DAV: 17 -0.891286160096E+02 -0.10783E-02 -0.20227E-04 647 0.719E-02 0.113E-02
DAV: 18 -0.891289562305E+02 -0.34022E-03 -0.30311E-05 597 0.348E-02 0.676E-03
DAV: 19 -0.891291127799E+02 -0.15655E-03 -0.22619E-05 517 0.232E-02 0.426E-03
DAV: 20 -0.891291884525E+02 -0.75673E-04 -0.96480E-06 441 0.165E-02 0.259E-03
DAV: 21 -0.891292038487E+02 -0.15396E-04 -0.25464E-06 504 0.723E-03 0.225E-03
DAV: 22 -0.891292112674E+02 -0.74186E-05 -0.20413E-06 417 0.900E-03
1 F= -.89129211E+02 E0= -.89133093E+02 d E =0.116442E-01