./iterations/neb0_image09_iter250_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 0.374228826961E+03 0.37423E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.331908997296E+01 -0.37091E+03 -0.35828E+03 869 0.196E+02
DAV: 3 -0.967613041846E+02 -0.10008E+03 -0.99752E+02 661 0.117E+02
DAV: 4 -0.101283739903E+03 -0.45224E+01 -0.45119E+01 720 0.287E+01
DAV: 5 -0.101372320620E+03 -0.88581E-01 -0.88543E-01 736 0.364E+00 0.227E+01
DAV: 6 -0.926823190350E+02 0.86900E+01 -0.31001E+01 720 0.300E+01 0.119E+01
DAV: 7 -0.918115337489E+02 0.87079E+00 -0.17212E+00 720 0.613E+00 0.480E+00
DAV: 8 -0.914355690136E+02 0.37596E+00 -0.54186E-01 712 0.394E+00 0.163E+00
DAV: 9 -0.913547822766E+02 0.80787E-01 -0.13269E-01 712 0.155E+00 0.422E-01
DAV: 10 -0.913467524401E+02 0.80298E-02 -0.44313E-02 768 0.109E+00 0.301E-01
DAV: 11 -0.913511119884E+02 -0.43595E-02 -0.12050E-02 608 0.573E-01 0.132E-01
DAV: 12 -0.913543135677E+02 -0.32016E-02 -0.28088E-03 623 0.241E-01 0.107E-01
DAV: 13 -0.913578141468E+02 -0.35006E-02 -0.13138E-03 669 0.194E-01 0.426E-02
DAV: 14 -0.913612160151E+02 -0.34019E-02 -0.71426E-04 656 0.149E-01 0.359E-02
DAV: 15 -0.913623554756E+02 -0.11395E-02 -0.12385E-04 776 0.797E-02 0.327E-02
DAV: 16 -0.913638137667E+02 -0.14583E-02 -0.32362E-04 634 0.894E-02 0.168E-02
DAV: 17 -0.913642202718E+02 -0.40651E-03 -0.51655E-05 680 0.480E-02 0.127E-02
DAV: 18 -0.913644835622E+02 -0.26329E-03 -0.45983E-05 565 0.307E-02 0.876E-03
DAV: 19 -0.913645403026E+02 -0.56740E-04 -0.68956E-06 504 0.145E-02 0.470E-03
DAV: 20 -0.913645713113E+02 -0.31009E-04 -0.65766E-06 432 0.166E-02 0.183E-03
DAV: 21 -0.913645885006E+02 -0.17189E-04 -0.35090E-06 445 0.892E-03 0.259E-03
DAV: 22 -0.913645917306E+02 -0.32300E-05 -0.64214E-07 488 0.446E-03
1 F= -.91364592E+02 E0= -.91369430E+02 d E =0.145133E-01