iterations/neb0_image09_iter186_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 0.374338873178E+03 0.37434E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.324442385040E+01 -0.37109E+03 -0.35836E+03 869 0.196E+02
DAV: 3 -0.968374769822E+02 -0.10008E+03 -0.99753E+02 669 0.117E+02
DAV: 4 -0.101284319811E+03 -0.44468E+01 -0.44367E+01 720 0.283E+01
DAV: 5 -0.101370588482E+03 -0.86269E-01 -0.86229E-01 728 0.359E+00 0.227E+01
DAV: 6 -0.926849795366E+02 0.86856E+01 -0.30983E+01 717 0.301E+01 0.119E+01
DAV: 7 -0.918095188743E+02 0.87546E+00 -0.17233E+00 728 0.614E+00 0.480E+00
DAV: 8 -0.914327933188E+02 0.37673E+00 -0.54413E-01 712 0.395E+00 0.163E+00
DAV: 9 -0.913515762610E+02 0.81217E-01 -0.13171E-01 712 0.155E+00 0.424E-01
DAV: 10 -0.913433499688E+02 0.82263E-02 -0.44892E-02 776 0.112E+00 0.301E-01
DAV: 11 -0.913477871659E+02 -0.44372E-02 -0.12277E-02 624 0.579E-01 0.134E-01
DAV: 12 -0.913509496806E+02 -0.31625E-02 -0.29355E-03 623 0.240E-01 0.115E-01
DAV: 13 -0.913546035505E+02 -0.36539E-02 -0.16076E-03 725 0.221E-01 0.415E-02
DAV: 14 -0.913576926969E+02 -0.30891E-02 -0.49574E-04 664 0.119E-01 0.341E-02
DAV: 15 -0.913593839210E+02 -0.16912E-02 -0.15123E-04 656 0.727E-02 0.321E-02
DAV: 16 -0.913606323390E+02 -0.12484E-02 -0.32057E-04 664 0.878E-02 0.204E-02
DAV: 17 -0.913608826767E+02 -0.25034E-03 -0.55633E-05 680 0.550E-02 0.115E-02
DAV: 18 -0.913611526585E+02 -0.26998E-03 -0.48415E-05 562 0.302E-02 0.105E-02
DAV: 19 -0.913612113043E+02 -0.58646E-04 -0.66794E-06 496 0.186E-02 0.551E-03
DAV: 20 -0.913612467240E+02 -0.35420E-04 -0.22004E-05 496 0.290E-02 0.587E-03
DAV: 21 -0.913612565856E+02 -0.98616E-05 -0.28440E-06 496 0.127E-02
1 F= -.91361257E+02 E0= -.91366113E+02 d E =0.145700E-01