./iterations/neb0_image03_iter183_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 0.364404873091E+03 0.36440E+03 -0.14324E+04 632 0.799E+02
DAV: 2 0.172045834531E+00 -0.36423E+03 -0.35412E+03 858 0.195E+02
DAV: 3 -0.960724944795E+02 -0.96245E+02 -0.95932E+02 672 0.115E+02
DAV: 4 -0.100265795039E+03 -0.41933E+01 -0.41820E+01 720 0.274E+01
DAV: 5 -0.100348147431E+03 -0.82352E-01 -0.82316E-01 736 0.345E+00 0.222E+01
DAV: 6 -0.917247288639E+02 0.86234E+01 -0.30944E+01 672 0.298E+01 0.117E+01
DAV: 7 -0.908789924879E+02 0.84574E+00 -0.18003E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904827811103E+02 0.39621E+00 -0.55550E-01 704 0.426E+00 0.169E+00
DAV: 9 -0.903856761697E+02 0.97105E-01 -0.12749E-01 712 0.190E+00 0.446E-01
DAV: 10 -0.903778242447E+02 0.78519E-02 -0.47449E-02 720 0.118E+00 0.347E-01
DAV: 11 -0.903813744422E+02 -0.35502E-02 -0.11766E-02 616 0.733E-01 0.139E-01
DAV: 12 -0.903834105614E+02 -0.20361E-02 -0.53238E-03 632 0.405E-01 0.127E-01
DAV: 13 -0.903876198016E+02 -0.42092E-02 -0.43871E-03 696 0.475E-01 0.903E-02
DAV: 14 -0.903908225827E+02 -0.32028E-02 -0.10688E-03 680 0.196E-01 0.634E-02
DAV: 15 -0.903929806545E+02 -0.21581E-02 -0.59836E-04 661 0.126E-01 0.245E-02
DAV: 16 -0.903950762677E+02 -0.20956E-02 -0.28691E-04 661 0.874E-02 0.241E-02
DAV: 17 -0.903955513305E+02 -0.47506E-03 -0.44016E-05 720 0.541E-02 0.136E-02
DAV: 18 -0.903963896438E+02 -0.83831E-03 -0.17814E-04 713 0.805E-02 0.148E-02
DAV: 19 -0.903965455123E+02 -0.15587E-03 -0.21867E-05 560 0.332E-02 0.947E-03
DAV: 20 -0.903966317362E+02 -0.86224E-04 -0.41203E-05 661 0.354E-02 0.620E-03
DAV: 21 -0.903967081150E+02 -0.76379E-04 -0.80771E-06 420 0.210E-02 0.295E-03
DAV: 22 -0.903967313568E+02 -0.23242E-04 -0.77619E-06 496 0.134E-02 0.174E-03
DAV: 23 -0.903967412993E+02 -0.99425E-05 -0.16152E-06 456 0.692E-03
1 F= -.90396741E+02 E0= -.90403213E+02 d E =0.194150E-01