iterations/neb0_image05_iter218_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 0.366996490953E+03 0.36700E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.319823533431E+01 -0.36380E+03 -0.35046E+03 856 0.195E+02
DAV: 3 -0.954225354563E+02 -0.98621E+02 -0.98280E+02 669 0.116E+02
DAV: 4 -0.999458467280E+02 -0.45233E+01 -0.45136E+01 704 0.283E+01
DAV: 5 -0.100037156723E+03 -0.91310E-01 -0.91269E-01 720 0.357E+00 0.221E+01
DAV: 6 -0.915429434386E+02 0.84942E+01 -0.30662E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907289555229E+02 0.81399E+00 -0.17263E+00 720 0.629E+00 0.482E+00
DAV: 8 -0.903526234840E+02 0.37633E+00 -0.55473E-01 712 0.431E+00 0.164E+00
DAV: 9 -0.902701821682E+02 0.82441E-01 -0.13214E-01 728 0.169E+00 0.434E-01
DAV: 10 -0.902636489949E+02 0.65332E-02 -0.42690E-02 736 0.120E+00 0.312E-01
DAV: 11 -0.902669093282E+02 -0.32603E-02 -0.68196E-03 616 0.537E-01 0.134E-01
DAV: 12 -0.902694975150E+02 -0.25882E-02 -0.58264E-03 608 0.457E-01 0.115E-01
DAV: 13 -0.902723325984E+02 -0.28351E-02 -0.12438E-03 818 0.271E-01 0.790E-02
DAV: 14 -0.902755009122E+02 -0.31683E-02 -0.14722E-03 631 0.206E-01 0.620E-02
DAV: 15 -0.902770077403E+02 -0.15068E-02 -0.44377E-04 736 0.154E-01 0.485E-02
DAV: 16 -0.902777712449E+02 -0.76350E-03 -0.22153E-04 664 0.111E-01 0.433E-02
DAV: 17 -0.902773429758E+02 0.42827E-03 -0.12879E-04 650 0.112E-01 0.448E-02
DAV: 18 -0.902783632582E+02 -0.10203E-02 -0.43507E-04 860 0.186E-01 0.444E-02
DAV: 19 -0.902791408152E+02 -0.77756E-03 -0.44110E-04 688 0.189E-01 0.391E-02
DAV: 20 -0.902798438938E+02 -0.70308E-03 -0.43203E-04 744 0.224E-01 0.353E-02
DAV: 21 -0.902803961584E+02 -0.55226E-03 -0.65183E-04 712 0.250E-01 0.549E-02
DAV: 22 -0.902802322130E+02 0.16395E-03 -0.72351E-04 658 0.286E-01 0.689E-02
DAV: 23 -0.902801572525E+02 0.74960E-04 -0.73580E-04 704 0.176E-01 0.537E-02
DAV: 24 -0.902802282243E+02 -0.70972E-04 -0.16155E-04 680 0.656E-02 0.383E-02
DAV: 25 -0.902801368911E+02 0.91333E-04 -0.64600E-04 861 0.351E-01 0.578E-02
DAV: 26 -0.902795831588E+02 0.55373E-03 -0.16563E-03 800 0.363E-01 0.668E-02
DAV: 27 -0.902796311916E+02 -0.48033E-04 -0.72377E-04 712 0.136E-01 0.761E-02
DAV: 28 -0.902795774350E+02 0.53757E-04 -0.81091E-06 528 0.235E-02 0.734E-02
DAV: 29 -0.902795290170E+02 0.48418E-04 -0.16174E-05 576 0.430E-02 0.779E-02
DAV: 30 -0.902795406848E+02 -0.11668E-04 -0.21477E-05 520 0.251E-02 0.841E-02
DAV: 31 -0.902795414787E+02 -0.79390E-06 -0.22950E-06 352 0.892E-03
1 F= -.90279541E+02 E0= -.90288389E+02 d E =0.265416E-01