./iterations/neb0_image03_iter69_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 0.367793607050E+03 0.36779E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.391924221499E+01 -0.36387E+03 -0.35064E+03 845 0.195E+02
DAV: 3 -0.955289296624E+02 -0.99448E+02 -0.99120E+02 672 0.116E+02
DAV: 4 -0.100107319496E+03 -0.45784E+01 -0.45682E+01 712 0.287E+01
DAV: 5 -0.100195598710E+03 -0.88279E-01 -0.88241E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.915982592904E+02 0.85973E+01 -0.30704E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907497945760E+02 0.84846E+00 -0.18407E+00 712 0.639E+00 0.482E+00
DAV: 8 -0.903466210159E+02 0.40317E+00 -0.56533E-01 696 0.431E+00 0.166E+00
DAV: 9 -0.902512618996E+02 0.95359E-01 -0.14188E-01 696 0.172E+00 0.438E-01
DAV: 10 -0.902434281901E+02 0.78337E-02 -0.48686E-02 720 0.124E+00 0.335E-01
DAV: 11 -0.902468088852E+02 -0.33807E-02 -0.72141E-03 613 0.524E-01 0.128E-01
DAV: 12 -0.902499852737E+02 -0.31764E-02 -0.65694E-03 615 0.384E-01 0.133E-01
DAV: 13 -0.902534134659E+02 -0.34282E-02 -0.20259E-03 856 0.380E-01 0.822E-02
DAV: 14 -0.902566637089E+02 -0.32502E-02 -0.11864E-03 620 0.166E-01 0.621E-02
DAV: 15 -0.902591022742E+02 -0.24386E-02 -0.40411E-04 744 0.108E-01 0.367E-02
DAV: 16 -0.902608221651E+02 -0.17199E-02 -0.57348E-04 666 0.133E-01 0.322E-02
DAV: 17 -0.902616441869E+02 -0.82202E-03 -0.11304E-04 669 0.664E-02 0.214E-02
DAV: 18 -0.902619841966E+02 -0.34001E-03 -0.12805E-04 664 0.651E-02 0.952E-03
DAV: 19 -0.902620769245E+02 -0.92728E-04 -0.87080E-06 480 0.184E-02 0.782E-03
DAV: 20 -0.902621364619E+02 -0.59537E-04 -0.11362E-05 456 0.214E-02 0.367E-03
DAV: 21 -0.902621900221E+02 -0.53560E-04 -0.10267E-05 450 0.173E-02 0.396E-03
DAV: 22 -0.902622031835E+02 -0.13161E-04 -0.24367E-06 480 0.981E-03 0.320E-03
DAV: 23 -0.902622063915E+02 -0.32080E-05 -0.18232E-06 456 0.915E-03
1 F= -.90262206E+02 E0= -.90269485E+02 d E =0.218370E-01