./iterations/neb0_image01_iter263_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 0.362850294643E+03 0.36285E+03 -0.14331E+04 632 0.799E+02
DAV: 2 0.397651148254E+01 -0.35887E+03 -0.34474E+03 820 0.195E+02
DAV: 3 -0.954768524355E+02 -0.99453E+02 -0.99098E+02 664 0.116E+02
DAV: 4 -0.100240693641E+03 -0.47638E+01 -0.47509E+01 696 0.294E+01
DAV: 5 -0.100333657542E+03 -0.92964E-01 -0.92926E-01 728 0.371E+00 0.222E+01
DAV: 6 -0.917054231963E+02 0.86282E+01 -0.30933E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908943980353E+02 0.81103E+00 -0.18319E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905155703516E+02 0.37883E+00 -0.55563E-01 696 0.431E+00 0.168E+00
DAV: 9 -0.904316533881E+02 0.83917E-01 -0.13549E-01 728 0.165E+00 0.426E-01
DAV: 10 -0.904267731139E+02 0.48803E-02 -0.45524E-02 720 0.124E+00 0.316E-01
DAV: 11 -0.904305593875E+02 -0.37863E-02 -0.64860E-03 608 0.491E-01 0.139E-01
DAV: 12 -0.904341535014E+02 -0.35941E-02 -0.71759E-03 634 0.498E-01 0.131E-01
DAV: 13 -0.904367444179E+02 -0.25909E-02 -0.16378E-03 869 0.314E-01 0.745E-02
DAV: 14 -0.904397665279E+02 -0.30221E-02 -0.13014E-03 642 0.171E-01 0.586E-02
DAV: 15 -0.904417265334E+02 -0.19600E-02 -0.37473E-04 680 0.113E-01 0.466E-02
DAV: 16 -0.904432047460E+02 -0.14782E-02 -0.83536E-04 666 0.172E-01 0.354E-02
DAV: 17 -0.904439139413E+02 -0.70920E-03 -0.12409E-04 680 0.795E-02 0.269E-02
DAV: 18 -0.904441720027E+02 -0.25806E-03 -0.11452E-04 664 0.552E-02 0.940E-03
DAV: 19 -0.904443357287E+02 -0.16373E-03 -0.30798E-05 514 0.286E-02 0.581E-03
DAV: 20 -0.904443655517E+02 -0.29823E-04 -0.52874E-06 488 0.163E-02 0.759E-03
DAV: 21 -0.904443953445E+02 -0.29793E-04 -0.50070E-06 425 0.139E-02 0.496E-03
DAV: 22 -0.904444076870E+02 -0.12342E-04 -0.50061E-06 480 0.139E-02 0.206E-03
DAV: 23 -0.904444093382E+02 -0.16513E-05 -0.18266E-06 528 0.794E-03
1 F= -.90444409E+02 E0= -.90449742E+02 d E =0.159988E-01