./iterations/neb0_image05_iter291_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 0.368083188973E+03 0.36808E+03 -0.14312E+04 624 0.799E+02
DAV: 2 0.474522816356E+01 -0.36334E+03 -0.34964E+03 840 0.196E+02
DAV: 3 -0.951995308566E+02 -0.99945E+02 -0.99598E+02 640 0.117E+02
DAV: 4 -0.100165280158E+03 -0.49657E+01 -0.49528E+01 704 0.304E+01
DAV: 5 -0.100266041233E+03 -0.10076E+00 -0.10071E+00 736 0.387E+00 0.222E+01
DAV: 6 -0.915911005644E+02 0.86749E+01 -0.31105E+01 688 0.302E+01 0.118E+01
DAV: 7 -0.907614049498E+02 0.82970E+00 -0.17793E+00 720 0.648E+00 0.484E+00
DAV: 8 -0.903772557922E+02 0.38415E+00 -0.52786E-01 720 0.430E+00 0.177E+00
DAV: 9 -0.902882176355E+02 0.89038E-01 -0.13970E-01 728 0.186E+00 0.516E-01
DAV: 10 -0.902783074820E+02 0.99102E-02 -0.24133E-02 760 0.859E-01 0.321E-01
DAV: 11 -0.902791857306E+02 -0.87825E-03 -0.12163E-02 712 0.625E-01 0.193E-01
DAV: 12 -0.902828785181E+02 -0.36928E-02 -0.57795E-03 672 0.450E-01 0.126E-01
DAV: 13 -0.902854252972E+02 -0.25468E-02 -0.12355E-03 648 0.208E-01 0.822E-02
DAV: 14 -0.902898280856E+02 -0.44028E-02 -0.24664E-03 654 0.266E-01 0.632E-02
DAV: 15 -0.902920015737E+02 -0.21735E-02 -0.43557E-04 776 0.146E-01 0.312E-02
DAV: 16 -0.902947066831E+02 -0.27051E-02 -0.88464E-04 647 0.163E-01 0.411E-02
DAV: 17 -0.902952922657E+02 -0.58558E-03 -0.92059E-05 760 0.673E-02 0.286E-02
DAV: 18 -0.902958948704E+02 -0.60260E-03 -0.26221E-04 652 0.985E-02 0.127E-02
DAV: 19 -0.902961421684E+02 -0.24730E-03 -0.48984E-05 677 0.356E-02 0.176E-02
DAV: 20 -0.902962146944E+02 -0.72526E-04 -0.82428E-06 496 0.180E-02 0.133E-02
DAV: 21 -0.902962503006E+02 -0.35606E-04 -0.44620E-05 628 0.430E-02 0.555E-03
DAV: 22 -0.902962706342E+02 -0.20334E-04 -0.71143E-06 466 0.222E-02 0.291E-03
DAV: 23 -0.902962740827E+02 -0.34486E-05 -0.14745E-06 512 0.891E-03
1 F= -.90296274E+02 E0= -.90304608E+02 d E =0.250017E-01