iterations/neb0_image03_iter273_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 0.364008097691E+03 0.36401E+03 -0.14330E+04 632 0.799E+02
DAV: 2 0.868830036089E+00 -0.36314E+03 -0.35116E+03 850 0.195E+02
DAV: 3 -0.960226646713E+02 -0.96891E+02 -0.96586E+02 661 0.116E+02
DAV: 4 -0.100356535475E+03 -0.43339E+01 -0.43237E+01 712 0.281E+01
DAV: 5 -0.100441065237E+03 -0.84530E-01 -0.84506E-01 744 0.352E+00 0.224E+01
DAV: 6 -0.917225107105E+02 0.87186E+01 -0.31379E+01 672 0.300E+01 0.118E+01
DAV: 7 -0.908750598511E+02 0.84745E+00 -0.18077E+00 712 0.634E+00 0.485E+00
DAV: 8 -0.904832778886E+02 0.39178E+00 -0.55618E-01 696 0.429E+00 0.170E+00
DAV: 9 -0.903929070521E+02 0.90371E-01 -0.13894E-01 704 0.169E+00 0.442E-01
DAV: 10 -0.903869189099E+02 0.59881E-02 -0.46694E-02 720 0.125E+00 0.334E-01
DAV: 11 -0.903904266142E+02 -0.35077E-02 -0.63589E-03 632 0.570E-01 0.137E-01
DAV: 12 -0.903941856135E+02 -0.37590E-02 -0.67115E-03 613 0.403E-01 0.123E-01
DAV: 13 -0.903982224356E+02 -0.40368E-02 -0.14362E-03 858 0.287E-01 0.817E-02
DAV: 14 -0.904014459534E+02 -0.32235E-02 -0.11923E-03 645 0.153E-01 0.542E-02
DAV: 15 -0.904037529134E+02 -0.23070E-02 -0.39353E-04 664 0.107E-01 0.318E-02
DAV: 16 -0.904050428995E+02 -0.12900E-02 -0.36864E-04 661 0.102E-01 0.257E-02
DAV: 17 -0.904057820671E+02 -0.73917E-03 -0.12272E-04 690 0.681E-02 0.115E-02
DAV: 18 -0.904060451592E+02 -0.26309E-03 -0.56912E-05 688 0.389E-02 0.109E-02
DAV: 19 -0.904061511488E+02 -0.10599E-03 -0.10585E-05 464 0.237E-02 0.524E-03
DAV: 20 -0.904062327357E+02 -0.81587E-04 -0.29249E-05 565 0.285E-02 0.723E-03
DAV: 21 -0.904062626425E+02 -0.29907E-04 -0.75330E-06 488 0.238E-02 0.190E-03
DAV: 22 -0.904062697819E+02 -0.71393E-05 -0.56125E-06 512 0.120E-02
1 F= -.90406270E+02 E0= -.90414266E+02 d E =0.239897E-01