./iterations/neb0_image02_iter41_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 0.368751060639E+03 0.36875E+03 -0.14301E+04 624 0.799E+02
DAV: 2 0.432324122228E+01 -0.36443E+03 -0.34961E+03 842 0.195E+02
DAV: 3 -0.954419541580E+02 -0.99765E+02 -0.99427E+02 656 0.116E+02
DAV: 4 -0.100179537928E+03 -0.47376E+01 -0.47262E+01 720 0.294E+01
DAV: 5 -0.100271435290E+03 -0.91897E-01 -0.91861E-01 728 0.369E+00 0.223E+01
DAV: 6 -0.916294973959E+02 0.86419E+01 -0.30752E+01 688 0.299E+01 0.118E+01
DAV: 7 -0.907948912405E+02 0.83461E+00 -0.18379E+00 712 0.634E+00 0.483E+00
DAV: 8 -0.904077876209E+02 0.38710E+00 -0.55432E-01 696 0.424E+00 0.170E+00
DAV: 9 -0.903167243238E+02 0.91063E-01 -0.14203E-01 696 0.167E+00 0.433E-01
DAV: 10 -0.903101685851E+02 0.65557E-02 -0.42606E-02 704 0.123E+00 0.311E-01
DAV: 11 -0.903138770550E+02 -0.37085E-02 -0.64851E-03 621 0.457E-01 0.150E-01
DAV: 12 -0.903171384780E+02 -0.32614E-02 -0.61491E-03 613 0.448E-01 0.120E-01
DAV: 13 -0.903202146896E+02 -0.30762E-02 -0.96898E-04 845 0.279E-01 0.759E-02
DAV: 14 -0.903232918457E+02 -0.30772E-02 -0.14908E-03 634 0.180E-01 0.551E-02
DAV: 15 -0.903258145704E+02 -0.25227E-02 -0.48868E-04 765 0.150E-01 0.352E-02
DAV: 16 -0.903269341735E+02 -0.11196E-02 -0.36199E-04 672 0.100E-01 0.299E-02
DAV: 17 -0.903278412661E+02 -0.90709E-03 -0.12113E-04 655 0.644E-02 0.178E-02
DAV: 18 -0.903280970873E+02 -0.25582E-03 -0.63206E-05 680 0.429E-02 0.741E-03
DAV: 19 -0.903283163752E+02 -0.21929E-03 -0.16978E-05 471 0.175E-02 0.447E-03
DAV: 20 -0.903284061334E+02 -0.89758E-04 -0.11067E-05 469 0.124E-02 0.307E-03
DAV: 21 -0.903284410547E+02 -0.34921E-04 -0.52878E-06 447 0.912E-03 0.124E-03
DAV: 22 -0.903284472078E+02 -0.61531E-05 -0.17843E-06 472 0.615E-03
1 F= -.90328447E+02 E0= -.90335153E+02 d E =0.201165E-01