./iterations/neb0_image08_iter269_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 0.374247633765E+03 0.37425E+03 -0.14283E+04 624 0.799E+02
DAV: 2 0.406536660272E+01 -0.37018E+03 -0.35788E+03 869 0.196E+02
DAV: 3 -0.967138085812E+02 -0.10078E+03 -0.10045E+03 669 0.117E+02
DAV: 4 -0.101260620896E+03 -0.45468E+01 -0.45342E+01 712 0.285E+01
DAV: 5 -0.101348350848E+03 -0.87730E-01 -0.87683E-01 728 0.360E+00 0.227E+01
DAV: 6 -0.926571218051E+02 0.86912E+01 -0.31009E+01 714 0.300E+01 0.119E+01
DAV: 7 -0.917895928312E+02 0.86753E+00 -0.17144E+00 728 0.612E+00 0.480E+00
DAV: 8 -0.914145615290E+02 0.37503E+00 -0.53908E-01 720 0.395E+00 0.162E+00
DAV: 9 -0.913343307447E+02 0.80231E-01 -0.13189E-01 728 0.155E+00 0.421E-01
DAV: 10 -0.913262690218E+02 0.80617E-02 -0.46300E-02 760 0.110E+00 0.306E-01
DAV: 11 -0.913313003160E+02 -0.50313E-02 -0.15394E-02 616 0.646E-01 0.159E-01
DAV: 12 -0.913340800996E+02 -0.27798E-02 -0.30470E-03 626 0.236E-01 0.114E-01
DAV: 13 -0.913379214675E+02 -0.38414E-02 -0.30437E-03 639 0.289E-01 0.625E-02
DAV: 14 -0.913410508988E+02 -0.31294E-02 -0.97736E-04 664 0.175E-01 0.273E-02
DAV: 15 -0.913424994917E+02 -0.14486E-02 -0.17853E-04 672 0.684E-02 0.162E-02
DAV: 16 -0.913435402958E+02 -0.10408E-02 -0.13604E-04 634 0.611E-02 0.104E-02
DAV: 17 -0.913438685499E+02 -0.32825E-03 -0.27217E-05 592 0.243E-02 0.860E-03
DAV: 18 -0.913440123213E+02 -0.14377E-03 -0.18796E-05 480 0.280E-02 0.421E-03
DAV: 19 -0.913441063564E+02 -0.94035E-04 -0.11477E-05 466 0.143E-02 0.363E-03
DAV: 20 -0.913441193465E+02 -0.12990E-04 -0.22002E-06 528 0.870E-03 0.172E-03
DAV: 21 -0.913441397866E+02 -0.20440E-04 -0.35918E-06 406 0.990E-03 0.159E-03
DAV: 22 -0.913441415550E+02 -0.17685E-05 -0.84485E-07 501 0.432E-03
1 F= -.91344142E+02 E0= -.91349230E+02 d E =0.152657E-01