./iterations/neb0_image08_iter12_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 0.369762600208E+03 0.36976E+03 -0.14255E+04 624 0.799E+02
DAV: 2 0.229960464695E+01 -0.36746E+03 -0.35517E+03 880 0.195E+02
DAV: 3 -0.962212077229E+02 -0.98521E+02 -0.98183E+02 688 0.116E+02
DAV: 4 -0.100507847177E+03 -0.42866E+01 -0.42748E+01 696 0.272E+01
DAV: 5 -0.100594370310E+03 -0.86523E-01 -0.86471E-01 744 0.346E+00 0.222E+01
DAV: 6 -0.920299512370E+02 0.85644E+01 -0.30810E+01 720 0.300E+01 0.116E+01
DAV: 7 -0.912061766604E+02 0.82377E+00 -0.17302E+00 704 0.639E+00 0.475E+00
DAV: 8 -0.908410171920E+02 0.36516E+00 -0.58253E-01 712 0.415E+00 0.166E+00
DAV: 9 -0.907601396362E+02 0.80878E-01 -0.12650E-01 717 0.159E+00 0.444E-01
DAV: 10 -0.907516069497E+02 0.85327E-02 -0.30985E-02 736 0.859E-01 0.272E-01
DAV: 11 -0.907564533124E+02 -0.48464E-02 -0.12532E-02 607 0.660E-01 0.184E-01
DAV: 12 -0.907574263125E+02 -0.97300E-03 -0.22843E-03 720 0.296E-01 0.113E-01
DAV: 13 -0.907624065172E+02 -0.49802E-02 -0.51043E-03 691 0.458E-01 0.101E-01
DAV: 14 -0.907633415154E+02 -0.93500E-03 -0.83527E-04 840 0.226E-01 0.617E-02
DAV: 15 -0.907653873986E+02 -0.20459E-02 -0.10487E-03 661 0.195E-01 0.337E-02
DAV: 16 -0.907673164534E+02 -0.19291E-02 -0.25795E-04 722 0.976E-02 0.265E-02
DAV: 17 -0.907683425228E+02 -0.10261E-02 -0.12024E-04 661 0.558E-02 0.831E-03
DAV: 18 -0.907689163155E+02 -0.57379E-03 -0.63236E-05 599 0.325E-02 0.100E-02
DAV: 19 -0.907690895542E+02 -0.17324E-03 -0.15382E-05 496 0.227E-02 0.464E-03
DAV: 20 -0.907691451734E+02 -0.55619E-04 -0.80236E-06 485 0.132E-02 0.318E-03
DAV: 21 -0.907691731057E+02 -0.27932E-04 -0.24688E-06 409 0.869E-03 0.211E-03
DAV: 22 -0.907691921894E+02 -0.19084E-04 -0.37749E-06 427 0.932E-03 0.162E-03
DAV: 23 -0.907691933531E+02 -0.11637E-05 -0.77756E-07 544 0.632E-03
1 F= -.90769193E+02 E0= -.90773495E+02 d E =0.129046E-01