iterations/neb0_image05_iter197_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 0.367369110647E+03 0.36737E+03 -0.14290E+04 624 0.799E+02
DAV: 2 0.320177878663E+01 -0.36417E+03 -0.35106E+03 864 0.195E+02
DAV: 3 -0.954732150098E+02 -0.98675E+02 -0.98345E+02 685 0.116E+02
DAV: 4 -0.999171326929E+02 -0.44439E+01 -0.44337E+01 696 0.276E+01
DAV: 5 -0.100006473260E+03 -0.89341E-01 -0.89294E-01 728 0.346E+00 0.220E+01
DAV: 6 -0.915335554642E+02 0.84729E+01 -0.30697E+01 680 0.300E+01 0.116E+01
DAV: 7 -0.907566266888E+02 0.77693E+00 -0.18021E+00 728 0.634E+00 0.480E+00
DAV: 8 -0.903889157380E+02 0.36771E+00 -0.51614E-01 720 0.419E+00 0.171E+00
DAV: 9 -0.903013097224E+02 0.87606E-01 -0.14297E-01 720 0.173E+00 0.443E-01
DAV: 10 -0.902946266160E+02 0.66831E-02 -0.39742E-02 792 0.124E+00 0.307E-01
DAV: 11 -0.902974546643E+02 -0.28280E-02 -0.65682E-03 629 0.493E-01 0.157E-01
DAV: 12 -0.902999423215E+02 -0.24877E-02 -0.55024E-03 599 0.474E-01 0.107E-01
DAV: 13 -0.903032563357E+02 -0.33140E-02 -0.11321E-03 672 0.227E-01 0.808E-02
DAV: 14 -0.903063928786E+02 -0.31365E-02 -0.15264E-03 660 0.190E-01 0.527E-02
DAV: 15 -0.903093783675E+02 -0.29855E-02 -0.75120E-04 768 0.194E-01 0.403E-02
DAV: 16 -0.903105720693E+02 -0.11937E-02 -0.40113E-04 688 0.103E-01 0.318E-02
DAV: 17 -0.903112586505E+02 -0.68658E-03 -0.19680E-04 781 0.930E-02 0.182E-02
DAV: 18 -0.903114373327E+02 -0.17868E-03 -0.61019E-05 704 0.414E-02 0.147E-02
DAV: 19 -0.903116619642E+02 -0.22463E-03 -0.36754E-05 591 0.289E-02 0.809E-03
DAV: 20 -0.903117212404E+02 -0.59276E-04 -0.66113E-06 496 0.187E-02 0.482E-03
DAV: 21 -0.903117581755E+02 -0.36935E-04 -0.11713E-05 424 0.193E-02 0.323E-03
DAV: 22 -0.903117652772E+02 -0.71017E-05 -0.20124E-06 496 0.852E-03
1 F= -.90311765E+02 E0= -.90318896E+02 d E =0.213909E-01