iterations/neb0_image06_iter250_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 0.373828021105E+03 0.37383E+03 -0.14319E+04 632 0.799E+02
DAV: 2 0.505400418812E+01 -0.36877E+03 -0.35639E+03 855 0.194E+02
DAV: 3 -0.951608033456E+02 -0.10021E+03 -0.99830E+02 664 0.117E+02
DAV: 4 -0.999486692366E+02 -0.47879E+01 -0.47728E+01 728 0.290E+01
DAV: 5 -0.100048242726E+03 -0.99573E-01 -0.99523E-01 720 0.371E+00 0.225E+01
DAV: 6 -0.914987870898E+02 0.85495E+01 -0.30159E+01 685 0.303E+01 0.118E+01
DAV: 7 -0.906708280230E+02 0.82796E+00 -0.17275E+00 720 0.633E+00 0.481E+00
DAV: 8 -0.902962401761E+02 0.37459E+00 -0.56145E-01 720 0.416E+00 0.167E+00
DAV: 9 -0.902070024959E+02 0.89238E-01 -0.12813E-01 720 0.161E+00 0.432E-01
DAV: 10 -0.901972255143E+02 0.97770E-02 -0.34604E-02 736 0.920E-01 0.286E-01
DAV: 11 -0.902012656538E+02 -0.40401E-02 -0.10608E-02 605 0.566E-01 0.166E-01
DAV: 12 -0.902030298567E+02 -0.17642E-02 -0.33859E-03 632 0.349E-01 0.885E-02
DAV: 13 -0.902073186283E+02 -0.42888E-02 -0.23387E-03 617 0.241E-01 0.813E-02
DAV: 14 -0.902096188262E+02 -0.23002E-02 -0.57800E-04 840 0.181E-01 0.326E-02
DAV: 15 -0.902125353190E+02 -0.29165E-02 -0.52326E-04 630 0.113E-01 0.356E-02
DAV: 16 -0.902142189900E+02 -0.16837E-02 -0.25188E-04 823 0.103E-01 0.190E-02
DAV: 17 -0.902150223364E+02 -0.80335E-03 -0.13812E-04 669 0.562E-02 0.158E-02
DAV: 18 -0.902152558996E+02 -0.23356E-03 -0.26969E-05 557 0.289E-02 0.842E-03
DAV: 19 -0.902154010067E+02 -0.14511E-03 -0.32077E-05 521 0.295E-02 0.471E-03
DAV: 20 -0.902154279678E+02 -0.26961E-04 -0.29182E-06 488 0.114E-02 0.306E-03
DAV: 21 -0.902154480456E+02 -0.20078E-04 -0.44892E-06 392 0.113E-02 0.112E-03
DAV: 22 -0.902154528785E+02 -0.48329E-05 -0.88183E-07 469 0.483E-03
1 F= -.90215453E+02 E0= -.90219727E+02 d E =0.128218E-01