iterations/neb0_image01_iter140_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 0.365755733521E+03 0.36576E+03 -0.14297E+04 624 0.799E+02
DAV: 2 0.326295232057E+01 -0.36249E+03 -0.34948E+03 836 0.195E+02
DAV: 3 -0.956354602195E+02 -0.98898E+02 -0.98551E+02 666 0.116E+02
DAV: 4 -0.100202188475E+03 -0.45667E+01 -0.45560E+01 704 0.287E+01
DAV: 5 -0.100292840250E+03 -0.90652E-01 -0.90605E-01 736 0.361E+00 0.222E+01
DAV: 6 -0.916732448747E+02 0.86196E+01 -0.31174E+01 685 0.299E+01 0.116E+01
DAV: 7 -0.908766786879E+02 0.79657E+00 -0.18233E+00 712 0.638E+00 0.484E+00
DAV: 8 -0.905007656704E+02 0.37591E+00 -0.55069E-01 704 0.426E+00 0.167E+00
DAV: 9 -0.904176430066E+02 0.83123E-01 -0.13501E-01 712 0.164E+00 0.424E-01
DAV: 10 -0.904128448440E+02 0.47982E-02 -0.46712E-02 712 0.124E+00 0.319E-01
DAV: 11 -0.904167513127E+02 -0.39065E-02 -0.69941E-03 608 0.520E-01 0.130E-01
DAV: 12 -0.904203748393E+02 -0.36235E-02 -0.71464E-03 632 0.481E-01 0.134E-01
DAV: 13 -0.904228485916E+02 -0.24738E-02 -0.17010E-03 848 0.323E-01 0.748E-02
DAV: 14 -0.904258513616E+02 -0.30028E-02 -0.14246E-03 631 0.185E-01 0.654E-02
DAV: 15 -0.904276735130E+02 -0.18222E-02 -0.35220E-04 680 0.113E-01 0.524E-02
DAV: 16 -0.904290388579E+02 -0.13653E-02 -0.10048E-03 661 0.191E-01 0.379E-02
DAV: 17 -0.904298350722E+02 -0.79621E-03 -0.13962E-04 669 0.810E-02 0.309E-02
DAV: 18 -0.904301068659E+02 -0.27179E-03 -0.97952E-05 664 0.512E-02 0.130E-02
DAV: 19 -0.904302804330E+02 -0.17357E-03 -0.50652E-05 647 0.364E-02 0.697E-03
DAV: 20 -0.904303120184E+02 -0.31585E-04 -0.47955E-06 496 0.165E-02 0.849E-03
DAV: 21 -0.904303510477E+02 -0.39029E-04 -0.67855E-06 409 0.151E-02 0.609E-03
DAV: 22 -0.904303641645E+02 -0.13117E-04 -0.53111E-06 477 0.158E-02 0.275E-03
DAV: 23 -0.904303660791E+02 -0.19145E-05 -0.32256E-06 528 0.106E-02
1 F= -.90430366E+02 E0= -.90435959E+02 d E =0.167796E-01