./iterations/neb0_image05_iter31_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 0.368739582338E+03 0.36874E+03 -0.14294E+04 632 0.799E+02
DAV: 2 0.446341698435E+01 -0.36428E+03 -0.35315E+03 874 0.194E+02
DAV: 3 -0.931027559547E+02 -0.97566E+02 -0.97151E+02 632 0.115E+02
DAV: 4 -0.979798822321E+02 -0.48771E+01 -0.48616E+01 712 0.302E+01
DAV: 5 -0.980827473905E+02 -0.10287E+00 -0.10282E+00 720 0.393E+00 0.219E+01
DAV: 6 -0.896614951048E+02 0.84213E+01 -0.30447E+01 701 0.300E+01 0.113E+01
DAV: 7 -0.888741098405E+02 0.78739E+00 -0.16924E+00 728 0.667E+00 0.476E+00
DAV: 8 -0.885032167949E+02 0.37089E+00 -0.61651E-01 712 0.444E+00 0.169E+00
DAV: 9 -0.884170281751E+02 0.86189E-01 -0.12789E-01 720 0.203E+00 0.550E-01
DAV: 10 -0.884058337015E+02 0.11194E-01 -0.26853E-02 728 0.913E-01 0.352E-01
DAV: 11 -0.884043616359E+02 0.14721E-02 -0.11980E-02 696 0.647E-01 0.198E-01
DAV: 12 -0.884072164861E+02 -0.28549E-02 -0.52482E-03 604 0.368E-01 0.136E-01
DAV: 13 -0.884108769532E+02 -0.36605E-02 -0.19523E-03 644 0.292E-01 0.764E-02
DAV: 14 -0.884148349245E+02 -0.39580E-02 -0.19104E-03 653 0.243E-01 0.888E-02
DAV: 15 -0.884166069054E+02 -0.17720E-02 -0.65798E-04 768 0.220E-01 0.408E-02
DAV: 16 -0.884184141563E+02 -0.18073E-02 -0.44178E-04 629 0.116E-01 0.237E-02
DAV: 17 -0.884198899060E+02 -0.14757E-02 -0.15926E-04 682 0.550E-02 0.230E-02
DAV: 18 -0.884206513627E+02 -0.76146E-03 -0.10219E-04 754 0.706E-02 0.958E-03
DAV: 19 -0.884210184422E+02 -0.36708E-03 -0.47039E-05 647 0.320E-02 0.969E-03
DAV: 20 -0.884212082073E+02 -0.18977E-03 -0.24377E-05 535 0.275E-02 0.402E-03
DAV: 21 -0.884212721270E+02 -0.63920E-04 -0.84024E-06 461 0.136E-02 0.275E-03
DAV: 22 -0.884212954491E+02 -0.23322E-04 -0.26219E-06 447 0.742E-03 0.154E-03
DAV: 23 -0.884213140873E+02 -0.18638E-04 -0.28577E-06 404 0.658E-03 0.996E-04
DAV: 24 -0.884213157786E+02 -0.16914E-05 -0.63084E-07 512 0.360E-03
1 F= -.88421316E+02 E0= -.88430249E+02 d E =0.267993E-01