iterations/neb0_image02_iter196_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 0.367100270459E+03 0.36710E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.213250163829E+01 -0.36497E+03 -0.35290E+03 861 0.196E+02
DAV: 3 -0.956661585829E+02 -0.97799E+02 -0.97467E+02 648 0.116E+02
DAV: 4 -0.100255857614E+03 -0.45897E+01 -0.45792E+01 720 0.291E+01
DAV: 5 -0.100345369129E+03 -0.89512E-01 -0.89477E-01 736 0.365E+00 0.223E+01
DAV: 6 -0.916809093200E+02 0.86645E+01 -0.30971E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908587451907E+02 0.82216E+00 -0.18379E+00 712 0.636E+00 0.484E+00
DAV: 8 -0.904774748323E+02 0.38127E+00 -0.55339E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903911078192E+02 0.86367E-01 -0.13725E-01 720 0.168E+00 0.429E-01
DAV: 10 -0.903858447060E+02 0.52631E-02 -0.49662E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903894043043E+02 -0.35596E-02 -0.77940E-03 616 0.582E-01 0.126E-01
DAV: 12 -0.903924727963E+02 -0.30685E-02 -0.70287E-03 648 0.431E-01 0.135E-01
DAV: 13 -0.903950461251E+02 -0.25733E-02 -0.18756E-03 853 0.340E-01 0.821E-02
DAV: 14 -0.903982274825E+02 -0.31814E-02 -0.13997E-03 623 0.175E-01 0.695E-02
DAV: 15 -0.904001038384E+02 -0.18764E-02 -0.33103E-04 696 0.107E-01 0.519E-02
DAV: 16 -0.904016040700E+02 -0.15002E-02 -0.10270E-03 680 0.187E-01 0.403E-02
DAV: 17 -0.904022999912E+02 -0.69592E-03 -0.15479E-04 752 0.861E-02 0.257E-02
DAV: 18 -0.904026039989E+02 -0.30401E-03 -0.80632E-05 672 0.433E-02 0.950E-03
DAV: 19 -0.904027863863E+02 -0.18239E-03 -0.39593E-05 591 0.319E-02 0.651E-03
DAV: 20 -0.904028186320E+02 -0.32246E-04 -0.39192E-06 504 0.139E-02 0.550E-03
DAV: 21 -0.904028766259E+02 -0.57994E-04 -0.12758E-05 409 0.187E-02 0.345E-03
DAV: 22 -0.904028816318E+02 -0.50058E-05 -0.38292E-06 496 0.118E-02
1 F= -.90402882E+02 E0= -.90409666E+02 d E =0.203521E-01