iterations/neb0_image02_iter238_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 0.366010847798E+03 0.36601E+03 -0.14294E+04 624 0.799E+02
DAV: 2 0.305988536762E+00 -0.36570E+03 -0.35522E+03 877 0.195E+02
DAV: 3 -0.956668250826E+02 -0.95973E+02 -0.95644E+02 629 0.115E+02
DAV: 4 -0.100220176046E+03 -0.45534E+01 -0.45426E+01 712 0.294E+01
DAV: 5 -0.100310568271E+03 -0.90392E-01 -0.90359E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916698102390E+02 0.86408E+01 -0.30949E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908541778591E+02 0.81563E+00 -0.18166E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904739748051E+02 0.38020E+00 -0.55635E-01 696 0.432E+00 0.169E+00
DAV: 9 -0.903888551605E+02 0.85120E-01 -0.13512E-01 720 0.166E+00 0.428E-01
DAV: 10 -0.903840757786E+02 0.47794E-02 -0.48619E-02 704 0.125E+00 0.328E-01
DAV: 11 -0.903877340489E+02 -0.36583E-02 -0.75945E-03 632 0.589E-01 0.120E-01
DAV: 12 -0.903907675079E+02 -0.30335E-02 -0.65434E-03 632 0.414E-01 0.133E-01
DAV: 13 -0.903934322341E+02 -0.26647E-02 -0.18392E-03 869 0.331E-01 0.812E-02
DAV: 14 -0.903965217502E+02 -0.30895E-02 -0.12976E-03 626 0.168E-01 0.685E-02
DAV: 15 -0.903983374253E+02 -0.18157E-02 -0.32063E-04 680 0.105E-01 0.505E-02
DAV: 16 -0.903997963057E+02 -0.14589E-02 -0.97856E-04 669 0.182E-01 0.398E-02
DAV: 17 -0.904003854942E+02 -0.58919E-03 -0.13547E-04 752 0.829E-02 0.254E-02
DAV: 18 -0.904006883876E+02 -0.30289E-03 -0.87738E-05 664 0.465E-02 0.795E-03
DAV: 19 -0.904008802746E+02 -0.19189E-03 -0.33607E-05 585 0.277E-02 0.638E-03
DAV: 20 -0.904009176951E+02 -0.37420E-04 -0.32183E-06 504 0.123E-02 0.537E-03
DAV: 21 -0.904009723959E+02 -0.54701E-04 -0.12640E-05 409 0.190E-02 0.318E-03
DAV: 22 -0.904009769546E+02 -0.45588E-05 -0.36718E-06 504 0.112E-02
1 F= -.90400977E+02 E0= -.90407795E+02 d E =0.204546E-01