./iterations/neb0_image03_iter129_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 0.366088868826E+03 0.36609E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.212024029316E+01 -0.36397E+03 -0.35280E+03 861 0.195E+02
DAV: 3 -0.958506156152E+02 -0.97971E+02 -0.97659E+02 680 0.116E+02
DAV: 4 -0.100179358864E+03 -0.43287E+01 -0.43193E+01 696 0.276E+01
DAV: 5 -0.100265505477E+03 -0.86147E-01 -0.86111E-01 736 0.347E+00 0.222E+01
DAV: 6 -0.916880974881E+02 0.85774E+01 -0.30721E+01 680 0.296E+01 0.116E+01
DAV: 7 -0.908486536465E+02 0.83944E+00 -0.18172E+00 712 0.643E+00 0.482E+00
DAV: 8 -0.904474236925E+02 0.40123E+00 -0.56443E-01 704 0.439E+00 0.169E+00
DAV: 9 -0.903521192296E+02 0.95304E-01 -0.12887E-01 712 0.192E+00 0.473E-01
DAV: 10 -0.903429610463E+02 0.91582E-02 -0.38647E-02 712 0.975E-01 0.345E-01
DAV: 11 -0.903450841091E+02 -0.21231E-02 -0.77982E-03 752 0.653E-01 0.171E-01
DAV: 12 -0.903471158883E+02 -0.20318E-02 -0.39103E-03 629 0.386E-01 0.119E-01
DAV: 13 -0.903516340191E+02 -0.45181E-02 -0.32743E-03 642 0.303E-01 0.854E-02
DAV: 14 -0.903565224500E+02 -0.48884E-02 -0.11603E-03 639 0.171E-01 0.518E-02
DAV: 15 -0.903580899912E+02 -0.15675E-02 -0.28759E-04 736 0.105E-01 0.229E-02
DAV: 16 -0.903598160895E+02 -0.17261E-02 -0.14766E-04 653 0.586E-02 0.141E-02
DAV: 17 -0.903609266750E+02 -0.11106E-02 -0.96782E-05 624 0.415E-02 0.833E-03
DAV: 18 -0.903612892085E+02 -0.36253E-03 -0.45512E-05 592 0.290E-02 0.603E-03
DAV: 19 -0.903613756674E+02 -0.86459E-04 -0.84106E-06 504 0.235E-02 0.362E-03
DAV: 20 -0.903614505461E+02 -0.74879E-04 -0.12679E-05 436 0.172E-02 0.483E-03
DAV: 21 -0.903614730120E+02 -0.22466E-04 -0.38429E-06 480 0.136E-02 0.243E-03
DAV: 22 -0.903614825117E+02 -0.94997E-05 -0.69128E-06 448 0.175E-02
1 F= -.90361483E+02 E0= -.90370195E+02 d E =0.261385E-01