./iterations/neb0_image02_iter39_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 0.368946146906E+03 0.36895E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.437262810675E+01 -0.36457E+03 -0.34979E+03 842 0.195E+02
DAV: 3 -0.954516419137E+02 -0.99824E+02 -0.99486E+02 656 0.116E+02
DAV: 4 -0.100188462139E+03 -0.47368E+01 -0.47252E+01 720 0.294E+01
DAV: 5 -0.100280079506E+03 -0.91617E-01 -0.91581E-01 728 0.368E+00 0.223E+01
DAV: 6 -0.916069156778E+02 0.86732E+01 -0.30867E+01 688 0.300E+01 0.118E+01
DAV: 7 -0.907752692595E+02 0.83165E+00 -0.18508E+00 712 0.633E+00 0.483E+00
DAV: 8 -0.903881906107E+02 0.38708E+00 -0.54941E-01 688 0.422E+00 0.171E+00
DAV: 9 -0.902955890480E+02 0.92602E-01 -0.14236E-01 696 0.167E+00 0.432E-01
DAV: 10 -0.902889521599E+02 0.66369E-02 -0.44098E-02 704 0.123E+00 0.313E-01
DAV: 11 -0.902928271087E+02 -0.38749E-02 -0.67849E-03 613 0.472E-01 0.140E-01
DAV: 12 -0.902961205596E+02 -0.32935E-02 -0.60205E-03 613 0.429E-01 0.122E-01
DAV: 13 -0.902990727456E+02 -0.29522E-02 -0.11483E-03 917 0.291E-01 0.735E-02
DAV: 14 -0.903021727788E+02 -0.31000E-02 -0.11938E-03 626 0.162E-01 0.515E-02
DAV: 15 -0.903045486168E+02 -0.23758E-02 -0.36693E-04 704 0.113E-01 0.355E-02
DAV: 16 -0.903060240752E+02 -0.14755E-02 -0.52878E-04 653 0.125E-01 0.327E-02
DAV: 17 -0.903067483334E+02 -0.72426E-03 -0.13955E-04 864 0.820E-02 0.161E-02
DAV: 18 -0.903069233681E+02 -0.17503E-03 -0.35010E-05 640 0.334E-02 0.726E-03
DAV: 19 -0.903071861812E+02 -0.26281E-03 -0.39955E-05 572 0.312E-02 0.608E-03
DAV: 20 -0.903072112722E+02 -0.25091E-04 -0.26516E-06 504 0.116E-02 0.509E-03
DAV: 21 -0.903072728333E+02 -0.61561E-04 -0.15664E-05 427 0.257E-02 0.390E-03
DAV: 22 -0.903072861250E+02 -0.13292E-04 -0.34237E-06 477 0.110E-02 0.328E-03
DAV: 23 -0.903072883516E+02 -0.22266E-05 -0.12474E-06 504 0.634E-03
1 F= -.90307288E+02 E0= -.90313425E+02 d E =0.184088E-01