./iterations/neb0_image08_iter178_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 0.373969662706E+03 0.37397E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.354550769316E+01 -0.37042E+03 -0.35825E+03 863 0.196E+02
DAV: 3 -0.967578219240E+02 -0.10030E+03 -0.99998E+02 677 0.117E+02
DAV: 4 -0.101260711161E+03 -0.45029E+01 -0.44901E+01 712 0.283E+01
DAV: 5 -0.101349048541E+03 -0.88337E-01 -0.88280E-01 712 0.358E+00 0.227E+01
DAV: 6 -0.926641721191E+02 0.86849E+01 -0.30936E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917884996423E+02 0.87567E+00 -0.17257E+00 720 0.613E+00 0.479E+00
DAV: 8 -0.914119476792E+02 0.37655E+00 -0.54804E-01 720 0.398E+00 0.161E+00
DAV: 9 -0.913322699286E+02 0.79678E-01 -0.12999E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913242115627E+02 0.80584E-02 -0.44224E-02 752 0.110E+00 0.300E-01
DAV: 11 -0.913289108170E+02 -0.46993E-02 -0.12793E-02 608 0.589E-01 0.140E-01
DAV: 12 -0.913319337379E+02 -0.30229E-02 -0.28397E-03 633 0.252E-01 0.103E-01
DAV: 13 -0.913352708180E+02 -0.33371E-02 -0.13547E-03 642 0.193E-01 0.442E-02
DAV: 14 -0.913385825279E+02 -0.33117E-02 -0.77825E-04 669 0.183E-01 0.367E-02
DAV: 15 -0.913397067391E+02 -0.11242E-02 -0.21864E-04 680 0.971E-02 0.345E-02
DAV: 16 -0.913408568586E+02 -0.11501E-02 -0.25560E-04 645 0.879E-02 0.124E-02
DAV: 17 -0.913415546426E+02 -0.69778E-03 -0.64670E-05 661 0.387E-02 0.136E-02
DAV: 18 -0.913418302723E+02 -0.27563E-03 -0.47970E-05 656 0.374E-02 0.795E-03
DAV: 19 -0.913418983216E+02 -0.68049E-04 -0.10017E-05 472 0.180E-02 0.528E-03
DAV: 20 -0.913419318335E+02 -0.33512E-04 -0.65853E-06 455 0.125E-02 0.378E-03
DAV: 21 -0.913419437174E+02 -0.11884E-04 -0.22908E-06 456 0.111E-02 0.160E-03
DAV: 22 -0.913419510158E+02 -0.72984E-05 -0.24200E-06 408 0.784E-03
1 F= -.91341951E+02 E0= -.91347008E+02 d E =0.151699E-01