iterations/neb0_image03_iter200_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 0.363830453908E+03 0.36383E+03 -0.14325E+04 632 0.799E+02
DAV: 2 -0.910560262196E-01 -0.36392E+03 -0.35402E+03 855 0.195E+02
DAV: 3 -0.960056675986E+02 -0.95915E+02 -0.95605E+02 661 0.115E+02
DAV: 4 -0.100267573699E+03 -0.42619E+01 -0.42501E+01 712 0.277E+01
DAV: 5 -0.100351708246E+03 -0.84135E-01 -0.84099E-01 736 0.350E+00 0.222E+01
DAV: 6 -0.917197935962E+02 0.86319E+01 -0.31023E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.908803111816E+02 0.83948E+00 -0.18076E+00 712 0.634E+00 0.483E+00
DAV: 8 -0.904870785039E+02 0.39323E+00 -0.55772E-01 696 0.426E+00 0.170E+00
DAV: 9 -0.903920117771E+02 0.95067E-01 -0.12844E-01 712 0.177E+00 0.441E-01
DAV: 10 -0.903843105669E+02 0.77012E-02 -0.40018E-02 728 0.107E+00 0.327E-01
DAV: 11 -0.903880817242E+02 -0.37712E-02 -0.94683E-03 688 0.651E-01 0.141E-01
DAV: 12 -0.903903578941E+02 -0.22762E-02 -0.36132E-03 624 0.375E-01 0.107E-01
DAV: 13 -0.903951607908E+02 -0.48029E-02 -0.28595E-03 690 0.285E-01 0.901E-02
DAV: 14 -0.903990187420E+02 -0.38580E-02 -0.11617E-03 666 0.185E-01 0.349E-02
DAV: 15 -0.904010059292E+02 -0.19872E-02 -0.31928E-04 656 0.825E-02 0.260E-02
DAV: 16 -0.904026998356E+02 -0.16939E-02 -0.20701E-04 672 0.771E-02 0.989E-03
DAV: 17 -0.904034874263E+02 -0.78759E-03 -0.10126E-04 653 0.417E-02 0.134E-02
DAV: 18 -0.904037024089E+02 -0.21498E-03 -0.35230E-05 624 0.385E-02 0.544E-03
DAV: 19 -0.904038034692E+02 -0.10106E-03 -0.16846E-05 440 0.236E-02 0.703E-03
DAV: 20 -0.904038413998E+02 -0.37931E-04 -0.54504E-06 472 0.136E-02 0.457E-03
DAV: 21 -0.904038584231E+02 -0.17023E-04 -0.61484E-06 480 0.157E-02 0.160E-03
DAV: 22 -0.904038759115E+02 -0.17488E-04 -0.24681E-06 429 0.709E-03 0.126E-03
DAV: 23 -0.904038791367E+02 -0.32253E-05 -0.70241E-07 496 0.320E-03
1 F= -.90403879E+02 E0= -.90411904E+02 d E =0.240751E-01