iterations/neb0_image03_iter219_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 0.362914749583E+03 0.36291E+03 -0.14321E+04 632 0.799E+02
DAV: 2 -0.120774667420E+00 -0.36304E+03 -0.35345E+03 850 0.195E+02
DAV: 3 -0.960753990303E+02 -0.95955E+02 -0.95641E+02 680 0.115E+02
DAV: 4 -0.100251583874E+03 -0.41762E+01 -0.41650E+01 720 0.269E+01
DAV: 5 -0.100334300751E+03 -0.82717E-01 -0.82686E-01 736 0.339E+00 0.222E+01
DAV: 6 -0.917182835747E+02 0.86160E+01 -0.30973E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908780080469E+02 0.84028E+00 -0.18109E+00 712 0.638E+00 0.485E+00
DAV: 8 -0.904803657928E+02 0.39764E+00 -0.56646E-01 696 0.438E+00 0.169E+00
DAV: 9 -0.903866136428E+02 0.93752E-01 -0.13724E-01 728 0.175E+00 0.440E-01
DAV: 10 -0.903792319437E+02 0.73817E-02 -0.56463E-02 712 0.138E+00 0.354E-01
DAV: 11 -0.903831086774E+02 -0.38767E-02 -0.94591E-03 624 0.613E-01 0.137E-01
DAV: 12 -0.903870834631E+02 -0.39748E-02 -0.85621E-03 621 0.456E-01 0.152E-01
DAV: 13 -0.903896600479E+02 -0.25766E-02 -0.20638E-03 893 0.381E-01 0.852E-02
DAV: 14 -0.903932952482E+02 -0.36352E-02 -0.17655E-03 642 0.230E-01 0.717E-02
DAV: 15 -0.903955224877E+02 -0.22272E-02 -0.41695E-04 664 0.100E-01 0.641E-02
DAV: 16 -0.903967823742E+02 -0.12599E-02 -0.63168E-04 672 0.161E-01 0.164E-02
DAV: 17 -0.903978662154E+02 -0.10838E-02 -0.20552E-04 656 0.729E-02 0.341E-02
DAV: 18 -0.903983154351E+02 -0.44922E-03 -0.51660E-05 672 0.397E-02 0.250E-02
DAV: 19 -0.903985531587E+02 -0.23772E-03 -0.14222E-04 645 0.712E-02 0.940E-03
DAV: 20 -0.903986101499E+02 -0.56991E-04 -0.15298E-05 512 0.273E-02 0.684E-03
DAV: 21 -0.903986645891E+02 -0.54439E-04 -0.14031E-05 437 0.198E-02 0.446E-03
DAV: 22 -0.903986800838E+02 -0.15495E-04 -0.27799E-06 480 0.130E-02 0.341E-03
DAV: 23 -0.903986862235E+02 -0.61397E-05 -0.32311E-06 440 0.957E-03
1 F= -.90398686E+02 E0= -.90404674E+02 d E =0.179633E-01