./iterations/neb0_image03_iter71_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 0.367882779745E+03 0.36788E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.307664368341E+01 -0.36481E+03 -0.35213E+03 853 0.195E+02
DAV: 3 -0.955763251030E+02 -0.98653E+02 -0.98333E+02 664 0.116E+02
DAV: 4 -0.100125066011E+03 -0.45487E+01 -0.45393E+01 720 0.287E+01
DAV: 5 -0.100213402325E+03 -0.88336E-01 -0.88300E-01 736 0.360E+00 0.223E+01
DAV: 6 -0.915997419114E+02 0.86137E+01 -0.30722E+01 696 0.297E+01 0.116E+01
DAV: 7 -0.907530979455E+02 0.84664E+00 -0.18557E+00 712 0.640E+00 0.482E+00
DAV: 8 -0.903504116834E+02 0.40269E+00 -0.56214E-01 688 0.431E+00 0.167E+00
DAV: 9 -0.902542289801E+02 0.96183E-01 -0.14220E-01 704 0.173E+00 0.439E-01
DAV: 10 -0.902462564502E+02 0.79725E-02 -0.48068E-02 712 0.124E+00 0.334E-01
DAV: 11 -0.902495658376E+02 -0.33094E-02 -0.69282E-03 613 0.515E-01 0.130E-01
DAV: 12 -0.902527608102E+02 -0.31950E-02 -0.66978E-03 615 0.389E-01 0.133E-01
DAV: 13 -0.902561785426E+02 -0.34177E-02 -0.20767E-03 856 0.386E-01 0.819E-02
DAV: 14 -0.902594838822E+02 -0.33053E-02 -0.12129E-03 620 0.169E-01 0.631E-02
DAV: 15 -0.902617998953E+02 -0.23160E-02 -0.37137E-04 736 0.106E-01 0.356E-02
DAV: 16 -0.902636476520E+02 -0.18478E-02 -0.59256E-04 663 0.137E-01 0.332E-02
DAV: 17 -0.902644537609E+02 -0.80611E-03 -0.11668E-04 677 0.682E-02 0.225E-02
DAV: 18 -0.902648002796E+02 -0.34652E-03 -0.13316E-04 645 0.690E-02 0.990E-03
DAV: 19 -0.902649081511E+02 -0.10787E-03 -0.11142E-05 485 0.214E-02 0.761E-03
DAV: 20 -0.902649788133E+02 -0.70662E-04 -0.14596E-05 448 0.235E-02 0.385E-03
DAV: 21 -0.902650340109E+02 -0.55198E-04 -0.90754E-06 436 0.158E-02 0.326E-03
DAV: 22 -0.902650476639E+02 -0.13653E-04 -0.27994E-06 480 0.978E-03 0.298E-03
DAV: 23 -0.902650508743E+02 -0.32104E-05 -0.14479E-06 456 0.809E-03
1 F= -.90265051E+02 E0= -.90272455E+02 d E =0.222113E-01