iterations/neb0_image01_iter126_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 0.366333773961E+03 0.36633E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.334882900495E+01 -0.36298E+03 -0.34978E+03 839 0.195E+02
DAV: 3 -0.957067494319E+02 -0.99056E+02 -0.98712E+02 677 0.116E+02
DAV: 4 -0.100216377383E+03 -0.45096E+01 -0.44998E+01 696 0.282E+01
DAV: 5 -0.100306470215E+03 -0.90093E-01 -0.90044E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916851252135E+02 0.86213E+01 -0.31100E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908751683688E+02 0.80996E+00 -0.18239E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904958665390E+02 0.37930E+00 -0.55851E-01 712 0.429E+00 0.167E+00
DAV: 9 -0.904124810230E+02 0.83386E-01 -0.13561E-01 712 0.164E+00 0.426E-01
DAV: 10 -0.904073982942E+02 0.50827E-02 -0.45023E-02 720 0.123E+00 0.314E-01
DAV: 11 -0.904113115476E+02 -0.39133E-02 -0.65022E-03 608 0.482E-01 0.138E-01
DAV: 12 -0.904148996677E+02 -0.35881E-02 -0.68802E-03 626 0.485E-01 0.128E-01
DAV: 13 -0.904175333855E+02 -0.26337E-02 -0.14753E-03 848 0.309E-01 0.738E-02
DAV: 14 -0.904204951817E+02 -0.29618E-02 -0.13353E-03 642 0.172E-01 0.574E-02
DAV: 15 -0.904224986607E+02 -0.20035E-02 -0.36633E-04 664 0.114E-01 0.451E-02
DAV: 16 -0.904238841874E+02 -0.13855E-02 -0.76698E-04 653 0.164E-01 0.351E-02
DAV: 17 -0.904246453701E+02 -0.76118E-03 -0.15358E-04 757 0.910E-02 0.222E-02
DAV: 18 -0.904248431640E+02 -0.19779E-03 -0.61727E-05 664 0.382E-02 0.116E-02
DAV: 19 -0.904250437025E+02 -0.20054E-03 -0.51413E-05 630 0.353E-02 0.639E-03
DAV: 20 -0.904250622075E+02 -0.18505E-04 -0.37782E-06 504 0.140E-02 0.623E-03
DAV: 21 -0.904250992251E+02 -0.37018E-04 -0.67596E-06 401 0.150E-02 0.460E-03
DAV: 22 -0.904251141473E+02 -0.14922E-04 -0.36301E-06 480 0.128E-02 0.239E-03
DAV: 23 -0.904251160691E+02 -0.19218E-05 -0.29674E-06 528 0.999E-03
1 F= -.90425116E+02 E0= -.90430301E+02 d E =0.155563E-01