./iterations/neb0_image03_iter104_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 0.367026924497E+03 0.36703E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.346264664763E+01 -0.36356E+03 -0.35018E+03 837 0.195E+02
DAV: 3 -0.955694470591E+02 -0.99032E+02 -0.98714E+02 664 0.116E+02
DAV: 4 -0.100178613359E+03 -0.46092E+01 -0.45994E+01 712 0.288E+01
DAV: 5 -0.100270110881E+03 -0.91498E-01 -0.91459E-01 736 0.362E+00 0.222E+01
DAV: 6 -0.916709948225E+02 0.85991E+01 -0.30661E+01 685 0.296E+01 0.116E+01
DAV: 7 -0.908251765192E+02 0.84582E+00 -0.18291E+00 712 0.643E+00 0.483E+00
DAV: 8 -0.904223494954E+02 0.40283E+00 -0.56505E-01 688 0.439E+00 0.169E+00
DAV: 9 -0.903273743725E+02 0.94975E-01 -0.13399E-01 696 0.189E+00 0.471E-01
DAV: 10 -0.903183227504E+02 0.90516E-02 -0.38193E-02 728 0.998E-01 0.340E-01
DAV: 11 -0.903204737870E+02 -0.21510E-02 -0.70210E-03 712 0.610E-01 0.156E-01
DAV: 12 -0.903225053876E+02 -0.20316E-02 -0.37515E-03 618 0.357E-01 0.113E-01
DAV: 13 -0.903269729286E+02 -0.44675E-02 -0.27889E-03 632 0.279E-01 0.818E-02
DAV: 14 -0.903316477406E+02 -0.46748E-02 -0.11122E-03 653 0.168E-01 0.488E-02
DAV: 15 -0.903333106488E+02 -0.16629E-02 -0.25944E-04 728 0.986E-02 0.218E-02
DAV: 16 -0.903350756335E+02 -0.17650E-02 -0.15259E-04 661 0.561E-02 0.145E-02
DAV: 17 -0.903360926399E+02 -0.10170E-02 -0.82855E-05 608 0.429E-02 0.772E-03
DAV: 18 -0.903364404624E+02 -0.34782E-03 -0.45735E-05 600 0.300E-02 0.673E-03
DAV: 19 -0.903365158415E+02 -0.75379E-04 -0.11297E-05 584 0.294E-02 0.475E-03
DAV: 20 -0.903365864819E+02 -0.70640E-04 -0.98622E-06 420 0.173E-02 0.447E-03
DAV: 21 -0.903366181223E+02 -0.31640E-04 -0.52848E-06 456 0.111E-02 0.285E-03
DAV: 22 -0.903366258325E+02 -0.77101E-05 -0.39948E-06 504 0.137E-02
1 F= -.90336626E+02 E0= -.90345250E+02 d E =0.258730E-01