./iterations/neb0_image04_iter126_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 0.369781506877E+03 0.36978E+03 -0.14313E+04 632 0.799E+02
DAV: 2 0.465999997000E+01 -0.36512E+03 -0.35192E+03 850 0.195E+02
DAV: 3 -0.954280311725E+02 -0.10009E+03 -0.99754E+02 685 0.116E+02
DAV: 4 -0.999111060150E+02 -0.44831E+01 -0.44718E+01 712 0.279E+01
DAV: 5 -0.999986309770E+02 -0.87525E-01 -0.87486E-01 728 0.350E+00 0.222E+01
DAV: 6 -0.914557954665E+02 0.85428E+01 -0.30100E+01 693 0.295E+01 0.116E+01
DAV: 7 -0.906001980683E+02 0.85560E+00 -0.17638E+00 720 0.628E+00 0.479E+00
DAV: 8 -0.902014482201E+02 0.39875E+00 -0.55691E-01 712 0.422E+00 0.164E+00
DAV: 9 -0.901071973249E+02 0.94251E-01 -0.13184E-01 720 0.176E+00 0.441E-01
DAV: 10 -0.900976091761E+02 0.95881E-02 -0.57161E-02 712 0.138E+00 0.352E-01
DAV: 11 -0.901017625688E+02 -0.41534E-02 -0.16529E-02 632 0.781E-01 0.159E-01
DAV: 12 -0.901026041453E+02 -0.84158E-03 -0.46002E-03 634 0.362E-01 0.137E-01
DAV: 13 -0.901064231124E+02 -0.38190E-02 -0.47679E-03 794 0.523E-01 0.882E-02
DAV: 14 -0.901095939824E+02 -0.31709E-02 -0.13082E-03 669 0.200E-01 0.666E-02
DAV: 15 -0.901119535575E+02 -0.23596E-02 -0.59940E-04 677 0.142E-01 0.293E-02
DAV: 16 -0.901134401981E+02 -0.14866E-02 -0.23804E-04 685 0.805E-02 0.242E-02
DAV: 17 -0.901146243472E+02 -0.11841E-02 -0.12572E-04 655 0.474E-02 0.189E-02
DAV: 18 -0.901149998268E+02 -0.37548E-03 -0.61306E-05 672 0.397E-02 0.555E-03
DAV: 19 -0.901152088480E+02 -0.20902E-03 -0.25703E-05 505 0.233E-02 0.639E-03
DAV: 20 -0.901152514243E+02 -0.42576E-04 -0.35952E-06 512 0.894E-03 0.593E-03
DAV: 21 -0.901152840777E+02 -0.32653E-04 -0.65879E-06 409 0.144E-02 0.197E-03
DAV: 22 -0.901152923687E+02 -0.82910E-05 -0.29652E-06 488 0.978E-03
1 F= -.90115292E+02 E0= -.90119502E+02 d E =0.126294E-01