iterations/neb0_image03_iter150_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 0.364276160620E+03 0.36428E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.400478992269E+00 -0.36388E+03 -0.35360E+03 869 0.195E+02
DAV: 3 -0.960375241003E+02 -0.96438E+02 -0.96131E+02 680 0.115E+02
DAV: 4 -0.100159657017E+03 -0.41221E+01 -0.41122E+01 704 0.271E+01
DAV: 5 -0.100240662219E+03 -0.81005E-01 -0.80970E-01 736 0.341E+00 0.221E+01
DAV: 6 -0.916777771850E+02 0.85629E+01 -0.30655E+01 680 0.298E+01 0.116E+01
DAV: 7 -0.908424689101E+02 0.83531E+00 -0.17905E+00 704 0.640E+00 0.482E+00
DAV: 8 -0.904432258102E+02 0.39924E+00 -0.56136E-01 704 0.438E+00 0.169E+00
DAV: 9 -0.903487434262E+02 0.94482E-01 -0.12728E-01 712 0.185E+00 0.466E-01
DAV: 10 -0.903396341081E+02 0.91093E-02 -0.42018E-02 720 0.106E+00 0.344E-01
DAV: 11 -0.903416550430E+02 -0.20209E-02 -0.59659E-03 717 0.607E-01 0.145E-01
DAV: 12 -0.903442862687E+02 -0.26312E-02 -0.53638E-03 621 0.345E-01 0.118E-01
DAV: 13 -0.903491154664E+02 -0.48292E-02 -0.29862E-03 695 0.338E-01 0.862E-02
DAV: 14 -0.903532583254E+02 -0.41429E-02 -0.79462E-04 669 0.173E-01 0.501E-02
DAV: 15 -0.903553772553E+02 -0.21189E-02 -0.51474E-04 661 0.126E-01 0.220E-02
DAV: 16 -0.903569063847E+02 -0.15291E-02 -0.17406E-04 672 0.670E-02 0.170E-02
DAV: 17 -0.903576343526E+02 -0.72797E-03 -0.67039E-05 669 0.506E-02 0.107E-02
DAV: 18 -0.903581355542E+02 -0.50120E-03 -0.63198E-05 594 0.358E-02 0.872E-03
DAV: 19 -0.903583066061E+02 -0.17105E-03 -0.19809E-05 528 0.321E-02 0.508E-03
DAV: 20 -0.903583766889E+02 -0.70083E-04 -0.19253E-05 456 0.234E-02 0.703E-03
DAV: 21 -0.903584014464E+02 -0.24758E-04 -0.56736E-06 482 0.193E-02 0.293E-03
DAV: 22 -0.903584134008E+02 -0.11954E-04 -0.61746E-06 448 0.138E-02 0.231E-03
DAV: 23 -0.903584236341E+02 -0.10233E-04 -0.17250E-06 436 0.653E-03 0.125E-03
DAV: 24 -0.903584253182E+02 -0.16840E-05 -0.12837E-06 504 0.707E-03
1 F= -.90358425E+02 E0= -.90367404E+02 d E =0.269361E-01