./iterations/neb0_image03_iter89_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 0.367106986158E+03 0.36711E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.279377961702E+01 -0.36431E+03 -0.35180E+03 853 0.195E+02
DAV: 3 -0.956049530940E+02 -0.98399E+02 -0.98080E+02 661 0.116E+02
DAV: 4 -0.100133335189E+03 -0.45284E+01 -0.45187E+01 720 0.287E+01
DAV: 5 -0.100221539920E+03 -0.88205E-01 -0.88170E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916465361696E+02 0.85750E+01 -0.30653E+01 688 0.296E+01 0.116E+01
DAV: 7 -0.908024828806E+02 0.84405E+00 -0.18258E+00 704 0.639E+00 0.482E+00
DAV: 8 -0.903991391878E+02 0.40334E+00 -0.56863E-01 688 0.430E+00 0.165E+00
DAV: 9 -0.903042748146E+02 0.94864E-01 -0.13567E-01 688 0.174E+00 0.440E-01
DAV: 10 -0.902963097097E+02 0.79651E-02 -0.44812E-02 720 0.112E+00 0.333E-01
DAV: 11 -0.902998256927E+02 -0.35160E-02 -0.72749E-03 669 0.568E-01 0.113E-01
DAV: 12 -0.903020906799E+02 -0.22650E-02 -0.36934E-03 623 0.281E-01 0.112E-01
DAV: 13 -0.903070454581E+02 -0.49548E-02 -0.21333E-03 776 0.331E-01 0.806E-02
DAV: 14 -0.903098501353E+02 -0.28047E-02 -0.67729E-04 672 0.138E-01 0.506E-02
DAV: 15 -0.903126582841E+02 -0.28081E-02 -0.78341E-04 661 0.165E-01 0.326E-02
DAV: 16 -0.903139240636E+02 -0.12658E-02 -0.15346E-04 752 0.828E-02 0.135E-02
DAV: 17 -0.903147946273E+02 -0.87056E-03 -0.14297E-04 658 0.518E-02 0.108E-02
DAV: 18 -0.903150118891E+02 -0.21726E-03 -0.15454E-05 472 0.291E-02 0.454E-03
DAV: 19 -0.903151626311E+02 -0.15074E-03 -0.36027E-05 580 0.281E-02 0.750E-03
DAV: 20 -0.903151636504E+02 -0.10193E-05 -0.18686E-06 536 0.853E-03
1 F= -.90315164E+02 E0= -.90323495E+02 d E =0.249937E-01