./iterations/neb0_image06_iter102_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 0.375443468645E+03 0.37544E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.370886433417E+01 -0.37173E+03 -0.35972E+03 877 0.195E+02
DAV: 3 -0.954750745499E+02 -0.99184E+02 -0.98858E+02 640 0.117E+02
DAV: 4 -0.100225096737E+03 -0.47500E+01 -0.47386E+01 712 0.297E+01
DAV: 5 -0.100322322318E+03 -0.97226E-01 -0.97181E-01 736 0.380E+00 0.226E+01
DAV: 6 -0.917207556144E+02 0.86016E+01 -0.30775E+01 698 0.305E+01 0.118E+01
DAV: 7 -0.908914591833E+02 0.82930E+00 -0.17147E+00 720 0.627E+00 0.480E+00
DAV: 8 -0.905120022170E+02 0.37946E+00 -0.52629E-01 728 0.403E+00 0.165E+00
DAV: 9 -0.904221681735E+02 0.89834E-01 -0.13025E-01 720 0.165E+00 0.421E-01
DAV: 10 -0.904127030360E+02 0.94651E-02 -0.41353E-02 752 0.104E+00 0.300E-01
DAV: 11 -0.904172458945E+02 -0.45429E-02 -0.13180E-02 613 0.675E-01 0.171E-01
DAV: 12 -0.904186807116E+02 -0.14348E-02 -0.24071E-03 672 0.285E-01 0.114E-01
DAV: 13 -0.904233178117E+02 -0.46371E-02 -0.35049E-03 660 0.395E-01 0.775E-02
DAV: 14 -0.904250031255E+02 -0.16853E-02 -0.52897E-04 728 0.149E-01 0.564E-02
DAV: 15 -0.904277176052E+02 -0.27145E-02 -0.82417E-04 637 0.164E-01 0.333E-02
DAV: 16 -0.904294808280E+02 -0.17632E-02 -0.23389E-04 677 0.823E-02 0.282E-02
DAV: 17 -0.904301357705E+02 -0.65494E-03 -0.95626E-05 709 0.684E-02 0.149E-02
DAV: 18 -0.904308326009E+02 -0.69683E-03 -0.15060E-04 644 0.764E-02 0.142E-02
DAV: 19 -0.904310174693E+02 -0.18487E-03 -0.21419E-05 493 0.317E-02 0.117E-02
DAV: 20 -0.904310927148E+02 -0.75245E-04 -0.26613E-05 536 0.297E-02 0.661E-03
DAV: 21 -0.904311683912E+02 -0.75676E-04 -0.83639E-06 425 0.147E-02 0.415E-03
DAV: 22 -0.904311909578E+02 -0.22567E-04 -0.66224E-06 477 0.138E-02 0.461E-03
DAV: 23 -0.904311991842E+02 -0.82263E-05 -0.22514E-06 397 0.138E-02
1 F= -.90431199E+02 E0= -.90437595E+02 d E =0.191875E-01