./iterations/neb0_image09_iter30_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 0.374947533905E+03 0.37495E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.209006563904E+01 -0.37286E+03 -0.36033E+03 885 0.196E+02
DAV: 3 -0.967164179306E+02 -0.98806E+02 -0.98479E+02 656 0.116E+02
DAV: 4 -0.101217678294E+03 -0.45013E+01 -0.44918E+01 688 0.288E+01
DAV: 5 -0.101306181843E+03 -0.88504E-01 -0.88462E-01 736 0.367E+00 0.227E+01
DAV: 6 -0.926359722027E+02 0.86702E+01 -0.30841E+01 704 0.301E+01 0.119E+01
DAV: 7 -0.917666925190E+02 0.86928E+00 -0.17144E+00 728 0.616E+00 0.479E+00
DAV: 8 -0.913927719758E+02 0.37392E+00 -0.53926E-01 712 0.394E+00 0.164E+00
DAV: 9 -0.913103459605E+02 0.82426E-01 -0.13076E-01 704 0.154E+00 0.423E-01
DAV: 10 -0.913016564543E+02 0.86895E-02 -0.43869E-02 768 0.109E+00 0.300E-01
DAV: 11 -0.913063291056E+02 -0.46727E-02 -0.13368E-02 616 0.601E-01 0.153E-01
DAV: 12 -0.913091217618E+02 -0.27927E-02 -0.26594E-03 631 0.234E-01 0.106E-01
DAV: 13 -0.913131053535E+02 -0.39836E-02 -0.19137E-03 661 0.224E-01 0.474E-02
DAV: 14 -0.913165978102E+02 -0.34925E-02 -0.73379E-04 653 0.168E-01 0.294E-02
DAV: 15 -0.913177609664E+02 -0.11632E-02 -0.17727E-04 696 0.785E-02 0.267E-02
DAV: 16 -0.913188697731E+02 -0.11088E-02 -0.22585E-04 671 0.884E-02 0.153E-02
DAV: 17 -0.913193563776E+02 -0.48660E-03 -0.43600E-05 669 0.386E-02 0.136E-02
DAV: 18 -0.913195385807E+02 -0.18220E-03 -0.42840E-05 664 0.371E-02 0.110E-02
DAV: 19 -0.913196785802E+02 -0.14000E-03 -0.22479E-05 450 0.268E-02 0.275E-03
DAV: 20 -0.913197051467E+02 -0.26567E-04 -0.54869E-06 496 0.111E-02 0.216E-03
DAV: 21 -0.913197298817E+02 -0.24735E-04 -0.34449E-06 395 0.964E-03 0.113E-03
DAV: 22 -0.913197371586E+02 -0.72769E-05 -0.13097E-06 469 0.503E-03
1 F= -.91319737E+02 E0= -.91324727E+02 d E =0.149708E-01