./iterations/neb0_image03_iter81_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 0.367539599482E+03 0.36754E+03 -0.14323E+04 632 0.799E+02
DAV: 2 0.289965193351E+01 -0.36464E+03 -0.35211E+03 853 0.195E+02
DAV: 3 -0.956163046544E+02 -0.98516E+02 -0.98197E+02 661 0.116E+02
DAV: 4 -0.100150520186E+03 -0.45342E+01 -0.45247E+01 720 0.287E+01
DAV: 5 -0.100238801319E+03 -0.88281E-01 -0.88245E-01 736 0.360E+00 0.222E+01
DAV: 6 -0.916296566576E+02 0.86091E+01 -0.30745E+01 688 0.297E+01 0.116E+01
DAV: 7 -0.907837928995E+02 0.84586E+00 -0.18503E+00 704 0.640E+00 0.483E+00
DAV: 8 -0.903783938797E+02 0.40540E+00 -0.57024E-01 688 0.432E+00 0.165E+00
DAV: 9 -0.902824655730E+02 0.95928E-01 -0.14008E-01 704 0.174E+00 0.437E-01
DAV: 10 -0.902743527906E+02 0.81128E-02 -0.50783E-02 712 0.121E+00 0.339E-01
DAV: 11 -0.902782077462E+02 -0.38550E-02 -0.83102E-03 605 0.577E-01 0.118E-01
DAV: 12 -0.902810206989E+02 -0.28130E-02 -0.54182E-03 639 0.333E-01 0.129E-01
DAV: 13 -0.902846984277E+02 -0.36777E-02 -0.20054E-03 832 0.369E-01 0.827E-02
DAV: 14 -0.902879412203E+02 -0.32428E-02 -0.11394E-03 642 0.156E-01 0.646E-02
DAV: 15 -0.902901856271E+02 -0.22444E-02 -0.41321E-04 680 0.121E-01 0.313E-02
DAV: 16 -0.902921790353E+02 -0.19934E-02 -0.56846E-04 663 0.135E-01 0.354E-02
DAV: 17 -0.902927911475E+02 -0.61211E-03 -0.13741E-04 704 0.720E-02 0.220E-02
DAV: 18 -0.902931124892E+02 -0.32134E-03 -0.10024E-04 648 0.576E-02 0.981E-03
DAV: 19 -0.902932759143E+02 -0.16343E-03 -0.15320E-05 477 0.244E-02 0.670E-03
DAV: 20 -0.902933611627E+02 -0.85248E-04 -0.19498E-05 474 0.248E-02 0.583E-03
DAV: 21 -0.902934022991E+02 -0.41136E-04 -0.76299E-06 456 0.166E-02 0.330E-03
DAV: 22 -0.902934147487E+02 -0.12450E-04 -0.46134E-06 472 0.124E-02 0.226E-03
DAV: 23 -0.902934178763E+02 -0.31277E-05 -0.13342E-06 496 0.692E-03
1 F= -.90293418E+02 E0= -.90301430E+02 d E =0.240358E-01