./iterations/neb0_image04_iter24_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 0.365171896102E+03 0.36517E+03 -0.14292E+04 632 0.799E+02
DAV: 2 0.504843059235E+01 -0.36012E+03 -0.34743E+03 850 0.194E+02
DAV: 3 -0.940180548964E+02 -0.99066E+02 -0.98665E+02 664 0.115E+02
DAV: 4 -0.987349526894E+02 -0.47169E+01 -0.47030E+01 712 0.291E+01
DAV: 5 -0.988342307790E+02 -0.99278E-01 -0.99228E-01 720 0.373E+00 0.217E+01
DAV: 6 -0.903226303071E+02 0.85116E+01 -0.30784E+01 685 0.300E+01 0.113E+01
DAV: 7 -0.895209810722E+02 0.80165E+00 -0.16665E+00 720 0.636E+00 0.476E+00
DAV: 8 -0.891301497250E+02 0.39083E+00 -0.59535E-01 712 0.439E+00 0.168E+00
DAV: 9 -0.890372363651E+02 0.92913E-01 -0.13617E-01 728 0.169E+00 0.443E-01
DAV: 10 -0.890273958759E+02 0.98405E-02 -0.36464E-02 728 0.943E-01 0.310E-01
DAV: 11 -0.890308803261E+02 -0.34845E-02 -0.10525E-02 605 0.557E-01 0.143E-01
DAV: 12 -0.890322420590E+02 -0.13617E-02 -0.20125E-03 680 0.274E-01 0.116E-01
DAV: 13 -0.890374942467E+02 -0.52522E-02 -0.47001E-03 788 0.464E-01 0.973E-02
DAV: 14 -0.890395014522E+02 -0.20072E-02 -0.94470E-04 765 0.204E-01 0.493E-02
DAV: 15 -0.890423469474E+02 -0.28455E-02 -0.14973E-03 649 0.216E-01 0.572E-02
DAV: 16 -0.890432849437E+02 -0.93800E-03 -0.19743E-04 869 0.105E-01 0.289E-02
DAV: 17 -0.890445869938E+02 -0.13021E-02 -0.34529E-04 733 0.104E-01 0.167E-02
DAV: 18 -0.890450066423E+02 -0.41965E-03 -0.53144E-05 677 0.339E-02 0.198E-02
DAV: 19 -0.890451579290E+02 -0.15129E-03 -0.21102E-05 552 0.324E-02 0.865E-03
DAV: 20 -0.890452583422E+02 -0.10041E-03 -0.49265E-05 615 0.396E-02 0.889E-03
DAV: 21 -0.890452813929E+02 -0.23051E-04 -0.47725E-06 501 0.191E-02 0.377E-03
DAV: 22 -0.890452992427E+02 -0.17850E-04 -0.57305E-06 425 0.117E-02 0.110E-03
DAV: 23 -0.890453019144E+02 -0.26717E-05 -0.75422E-07 528 0.418E-03
1 F= -.89045302E+02 E0= -.89052920E+02 d E =0.228555E-01