./iterations/neb0_image06_iter35_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 0.374258233877E+03 0.37426E+03 -0.14310E+04 632 0.799E+02
DAV: 2 0.445489994327E+01 -0.36980E+03 -0.35679E+03 858 0.195E+02
DAV: 3 -0.951244877897E+02 -0.99579E+02 -0.99240E+02 656 0.117E+02
DAV: 4 -0.996232747740E+02 -0.44988E+01 -0.44865E+01 728 0.290E+01
DAV: 5 -0.997139663903E+02 -0.90692E-01 -0.90666E-01 720 0.367E+00 0.225E+01
DAV: 6 -0.910807995003E+02 0.86332E+01 -0.30644E+01 679 0.305E+01 0.117E+01
DAV: 7 -0.902332996389E+02 0.84750E+00 -0.16825E+00 720 0.645E+00 0.476E+00
DAV: 8 -0.898584898718E+02 0.37481E+00 -0.53656E-01 688 0.410E+00 0.168E+00
DAV: 9 -0.897695376587E+02 0.88952E-01 -0.12575E-01 720 0.173E+00 0.458E-01
DAV: 10 -0.897597203695E+02 0.98173E-02 -0.31904E-02 752 0.894E-01 0.301E-01
DAV: 11 -0.897639379894E+02 -0.42176E-02 -0.19274E-02 672 0.102E+00 0.239E-01
DAV: 12 -0.897636957873E+02 0.24220E-03 -0.53829E-03 720 0.526E-01 0.144E-01
DAV: 13 -0.897673104989E+02 -0.36147E-02 -0.51946E-03 611 0.409E-01 0.120E-01
DAV: 14 -0.897706137204E+02 -0.33032E-02 -0.15123E-03 642 0.186E-01 0.821E-02
DAV: 15 -0.897733120743E+02 -0.26984E-02 -0.73563E-04 696 0.188E-01 0.319E-02
DAV: 16 -0.897754854555E+02 -0.21734E-02 -0.45066E-04 666 0.108E-01 0.341E-02
DAV: 17 -0.897762630631E+02 -0.77761E-03 -0.45456E-05 624 0.388E-02 0.237E-02
DAV: 18 -0.897771657815E+02 -0.90272E-03 -0.24113E-04 662 0.901E-02 0.176E-02
DAV: 19 -0.897772889882E+02 -0.12321E-03 -0.25081E-05 608 0.406E-02 0.998E-03
DAV: 20 -0.897773966424E+02 -0.10765E-03 -0.33909E-05 636 0.296E-02 0.427E-03
DAV: 21 -0.897774236396E+02 -0.26997E-04 -0.22063E-06 504 0.124E-02 0.237E-03
DAV: 22 -0.897774693360E+02 -0.45696E-04 -0.74761E-06 411 0.139E-02 0.245E-03
DAV: 23 -0.897774750133E+02 -0.56773E-05 -0.12142E-06 504 0.526E-03
1 F= -.89777475E+02 E0= -.89785668E+02 d E =0.245794E-01