./iterations/neb0_image09_iter234_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 0.374138842757E+03 0.37414E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.329484755285E+01 -0.37084E+03 -0.35823E+03 869 0.196E+02
DAV: 3 -0.967546765873E+02 -0.10005E+03 -0.99720E+02 661 0.117E+02
DAV: 4 -0.101283796374E+03 -0.45291E+01 -0.45185E+01 720 0.287E+01
DAV: 5 -0.101372428307E+03 -0.88632E-01 -0.88592E-01 720 0.364E+00 0.227E+01
DAV: 6 -0.926863010426E+02 0.86861E+01 -0.30975E+01 728 0.301E+01 0.119E+01
DAV: 7 -0.918116203201E+02 0.87468E+00 -0.17189E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914346849839E+02 0.37694E+00 -0.54714E-01 712 0.396E+00 0.162E+00
DAV: 9 -0.913539003402E+02 0.80785E-01 -0.13161E-01 712 0.155E+00 0.423E-01
DAV: 10 -0.913457349523E+02 0.81654E-02 -0.44310E-02 760 0.109E+00 0.300E-01
DAV: 11 -0.913501704330E+02 -0.44355E-02 -0.12120E-02 608 0.573E-01 0.135E-01
DAV: 12 -0.913533764170E+02 -0.32060E-02 -0.28794E-03 623 0.240E-01 0.110E-01
DAV: 13 -0.913568531678E+02 -0.34768E-02 -0.14047E-03 714 0.205E-01 0.409E-02
DAV: 14 -0.913601195790E+02 -0.32664E-02 -0.59489E-04 656 0.134E-01 0.354E-02
DAV: 15 -0.913615109005E+02 -0.13913E-02 -0.13364E-04 736 0.766E-02 0.314E-02
DAV: 16 -0.913629420036E+02 -0.14311E-02 -0.32520E-04 648 0.879E-02 0.187E-02
DAV: 17 -0.913632884446E+02 -0.34644E-03 -0.70047E-05 744 0.604E-02 0.116E-02
DAV: 18 -0.913635359706E+02 -0.24753E-03 -0.37447E-05 565 0.248E-02 0.927E-03
DAV: 19 -0.913635954630E+02 -0.59492E-04 -0.95251E-06 496 0.175E-02 0.358E-03
DAV: 20 -0.913636235053E+02 -0.28042E-04 -0.74996E-06 432 0.164E-02 0.232E-03
DAV: 21 -0.913636348197E+02 -0.11314E-04 -0.19348E-06 480 0.688E-03 0.237E-03
DAV: 22 -0.913636410332E+02 -0.62135E-05 -0.10154E-06 418 0.657E-03
1 F= -.91363641E+02 E0= -.91368485E+02 d E =0.145317E-01