iterations/neb0_image03_iter287_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 0.363563843771E+03 0.36356E+03 -0.14325E+04 632 0.799E+02
DAV: 2 0.121679233622E+01 -0.36235E+03 -0.34979E+03 853 0.195E+02
DAV: 3 -0.959708371586E+02 -0.97188E+02 -0.96879E+02 661 0.115E+02
DAV: 4 -0.100311231414E+03 -0.43404E+01 -0.43313E+01 704 0.282E+01
DAV: 5 -0.100394509796E+03 -0.83278E-01 -0.83258E-01 736 0.353E+00 0.223E+01
DAV: 6 -0.916869260004E+02 0.87076E+01 -0.31585E+01 677 0.301E+01 0.117E+01
DAV: 7 -0.908573537933E+02 0.82957E+00 -0.17907E+00 712 0.627E+00 0.484E+00
DAV: 8 -0.904709356793E+02 0.38642E+00 -0.54584E-01 696 0.419E+00 0.171E+00
DAV: 9 -0.903807491095E+02 0.90187E-01 -0.13402E-01 712 0.171E+00 0.434E-01
DAV: 10 -0.903746824921E+02 0.60666E-02 -0.46054E-02 720 0.117E+00 0.328E-01
DAV: 11 -0.903790662939E+02 -0.43838E-02 -0.81063E-03 632 0.669E-01 0.115E-01
DAV: 12 -0.903819966553E+02 -0.29304E-02 -0.49578E-03 624 0.337E-01 0.118E-01
DAV: 13 -0.903859315449E+02 -0.39349E-02 -0.15789E-03 759 0.274E-01 0.803E-02
DAV: 14 -0.903894110429E+02 -0.34795E-02 -0.12764E-03 640 0.162E-01 0.566E-02
DAV: 15 -0.903912676510E+02 -0.18566E-02 -0.25242E-04 752 0.951E-02 0.253E-02
DAV: 16 -0.903929116765E+02 -0.16440E-02 -0.43521E-04 650 0.116E-01 0.321E-02
DAV: 17 -0.903932904964E+02 -0.37882E-03 -0.11022E-04 845 0.758E-02 0.161E-02
DAV: 18 -0.903935079012E+02 -0.21740E-03 -0.44566E-05 656 0.351E-02 0.883E-03
DAV: 19 -0.903937447849E+02 -0.23688E-03 -0.27349E-05 548 0.270E-02 0.526E-03
DAV: 20 -0.903938224629E+02 -0.77678E-04 -0.96887E-06 464 0.171E-02 0.280E-03
DAV: 21 -0.903938762621E+02 -0.53799E-04 -0.74411E-06 431 0.117E-02 0.175E-03
DAV: 22 -0.903938859375E+02 -0.96753E-05 -0.22844E-06 504 0.841E-03
1 F= -.90393886E+02 E0= -.90402141E+02 d E =0.247638E-01