./iterations/neb0_image02_iter218_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 0.366498509798E+03 0.36650E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.130634414051E+01 -0.36519E+03 -0.35421E+03 869 0.196E+02
DAV: 3 -0.956338668255E+02 -0.96940E+02 -0.96605E+02 640 0.116E+02
DAV: 4 -0.100240065410E+03 -0.46062E+01 -0.45951E+01 704 0.293E+01
DAV: 5 -0.100331477227E+03 -0.91412E-01 -0.91373E-01 736 0.370E+00 0.222E+01
DAV: 6 -0.916727286743E+02 0.86587E+01 -0.30963E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908543911896E+02 0.81834E+00 -0.18280E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904737447705E+02 0.38065E+00 -0.55305E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.903881515681E+02 0.85593E-01 -0.13587E-01 720 0.167E+00 0.428E-01
DAV: 10 -0.903832366410E+02 0.49149E-02 -0.48585E-02 704 0.124E+00 0.329E-01
DAV: 11 -0.903871028146E+02 -0.38662E-02 -0.81830E-03 624 0.618E-01 0.115E-01
DAV: 12 -0.903898861374E+02 -0.27833E-02 -0.59717E-03 640 0.380E-01 0.130E-01
DAV: 13 -0.903926487519E+02 -0.27626E-02 -0.17779E-03 864 0.324E-01 0.827E-02
DAV: 14 -0.903958014372E+02 -0.31527E-02 -0.12534E-03 621 0.161E-01 0.674E-02
DAV: 15 -0.903976592984E+02 -0.18579E-02 -0.33381E-04 704 0.109E-01 0.469E-02
DAV: 16 -0.903990939189E+02 -0.14346E-02 -0.89417E-04 680 0.170E-01 0.392E-02
DAV: 17 -0.903997186700E+02 -0.62475E-03 -0.17070E-04 864 0.880E-02 0.208E-02
DAV: 18 -0.903999177624E+02 -0.19909E-03 -0.42413E-05 704 0.332E-02 0.869E-03
DAV: 19 -0.904001485155E+02 -0.23075E-03 -0.35761E-05 563 0.280E-02 0.457E-03
DAV: 20 -0.904001805966E+02 -0.32081E-04 -0.28382E-06 520 0.111E-02 0.403E-03
DAV: 21 -0.904002377137E+02 -0.57117E-04 -0.10756E-05 417 0.163E-02 0.314E-03
DAV: 22 -0.904002433619E+02 -0.56482E-05 -0.22415E-06 504 0.871E-03
1 F= -.90400243E+02 E0= -.90407290E+02 d E =0.211410E-01