iterations/neb0_image09_iter105_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 0.374730600248E+03 0.37473E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.247703212738E+01 -0.37225E+03 -0.35992E+03 877 0.196E+02
DAV: 3 -0.968254161730E+02 -0.99302E+02 -0.98967E+02 664 0.117E+02
DAV: 4 -0.101257195259E+03 -0.44318E+01 -0.44226E+01 696 0.285E+01
DAV: 5 -0.101343937538E+03 -0.86742E-01 -0.86704E-01 736 0.361E+00 0.227E+01
DAV: 6 -0.926762461684E+02 0.86677E+01 -0.30884E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918032759666E+02 0.87297E+00 -0.17128E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914254148668E+02 0.37786E+00 -0.54370E-01 712 0.396E+00 0.163E+00
DAV: 9 -0.913433332224E+02 0.82082E-01 -0.13176E-01 712 0.156E+00 0.425E-01
DAV: 10 -0.913345529159E+02 0.87803E-02 -0.46455E-02 784 0.114E+00 0.306E-01
DAV: 11 -0.913389204547E+02 -0.43675E-02 -0.13171E-02 616 0.601E-01 0.141E-01
DAV: 12 -0.913418833210E+02 -0.29629E-02 -0.29829E-03 628 0.244E-01 0.115E-01
DAV: 13 -0.913457266221E+02 -0.38433E-02 -0.15875E-03 696 0.217E-01 0.434E-02
DAV: 14 -0.913490139981E+02 -0.32874E-02 -0.56795E-04 669 0.129E-01 0.346E-02
DAV: 15 -0.913505644532E+02 -0.15505E-02 -0.14730E-04 720 0.732E-02 0.341E-02
DAV: 16 -0.913519001937E+02 -0.13357E-02 -0.34602E-04 650 0.916E-02 0.191E-02
DAV: 17 -0.913522101190E+02 -0.30993E-03 -0.58127E-05 680 0.546E-02 0.114E-02
DAV: 18 -0.913524509565E+02 -0.24084E-03 -0.40309E-05 556 0.273E-02 0.107E-02
DAV: 19 -0.913525131118E+02 -0.62155E-04 -0.80357E-06 488 0.184E-02 0.490E-03
DAV: 20 -0.913525463691E+02 -0.33257E-04 -0.14105E-05 440 0.239E-02 0.403E-03
DAV: 21 -0.913525617691E+02 -0.15400E-04 -0.29075E-06 456 0.102E-02 0.330E-03
DAV: 22 -0.913525676983E+02 -0.59292E-05 -0.21280E-06 426 0.895E-03
1 F= -.91352568E+02 E0= -.91357297E+02 d E =0.141894E-01