iterations/neb0_image02_iter28_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 0.368056551274E+03 0.36806E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.431800147083E+01 -0.36374E+03 -0.34907E+03 839 0.195E+02
DAV: 3 -0.956214852624E+02 -0.99939E+02 -0.99602E+02 680 0.116E+02
DAV: 4 -0.100137336233E+03 -0.45159E+01 -0.45049E+01 712 0.282E+01
DAV: 5 -0.100222927398E+03 -0.85591E-01 -0.85549E-01 728 0.351E+00 0.222E+01
DAV: 6 -0.915503062763E+02 0.86726E+01 -0.30986E+01 712 0.300E+01 0.117E+01
DAV: 7 -0.907248927856E+02 0.82541E+00 -0.18448E+00 712 0.632E+00 0.482E+00
DAV: 8 -0.903362385647E+02 0.38865E+00 -0.55628E-01 696 0.427E+00 0.171E+00
DAV: 9 -0.902423041156E+02 0.93934E-01 -0.14624E-01 696 0.171E+00 0.439E-01
DAV: 10 -0.902353503284E+02 0.69538E-02 -0.43103E-02 720 0.122E+00 0.311E-01
DAV: 11 -0.902389751038E+02 -0.36248E-02 -0.64372E-03 616 0.460E-01 0.145E-01
DAV: 12 -0.902424010446E+02 -0.34259E-02 -0.67559E-03 616 0.467E-01 0.128E-01
DAV: 13 -0.902451040366E+02 -0.27030E-02 -0.13334E-03 928 0.309E-01 0.705E-02
DAV: 14 -0.902484728778E+02 -0.33688E-02 -0.13423E-03 637 0.174E-01 0.539E-02
DAV: 15 -0.902506306875E+02 -0.21578E-02 -0.28698E-04 664 0.105E-01 0.364E-02
DAV: 16 -0.902523322531E+02 -0.17016E-02 -0.71920E-04 656 0.151E-01 0.390E-02
DAV: 17 -0.902529596226E+02 -0.62737E-03 -0.12723E-04 856 0.806E-02 0.213E-02
DAV: 18 -0.902531991669E+02 -0.23954E-03 -0.46188E-05 664 0.371E-02 0.106E-02
DAV: 19 -0.902534477163E+02 -0.24855E-03 -0.55966E-05 639 0.430E-02 0.811E-03
DAV: 20 -0.902534757378E+02 -0.28022E-04 -0.61012E-06 520 0.164E-02 0.749E-03
DAV: 21 -0.902535237507E+02 -0.48013E-04 -0.99241E-06 417 0.201E-02 0.330E-03
DAV: 22 -0.902535514008E+02 -0.27650E-04 -0.74333E-06 469 0.145E-02 0.330E-03
DAV: 23 -0.902535548980E+02 -0.34972E-05 -0.15696E-06 496 0.667E-03
1 F= -.90253555E+02 E0= -.90259709E+02 d E =0.184617E-01