iterations/neb0_image04_iter296_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 0.365210363989E+03 0.36521E+03 -0.14304E+04 624 0.799E+02
DAV: 2 0.616393112984E+00 -0.36459E+03 -0.35274E+03 869 0.195E+02
DAV: 3 -0.959664192548E+02 -0.96583E+02 -0.96276E+02 656 0.115E+02
DAV: 4 -0.100312686590E+03 -0.43463E+01 -0.43385E+01 720 0.282E+01
DAV: 5 -0.100397857362E+03 -0.85171E-01 -0.85146E-01 736 0.353E+00 0.223E+01
DAV: 6 -0.916773258455E+02 0.87205E+01 -0.31454E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908371257811E+02 0.84020E+00 -0.18058E+00 720 0.659E+00 0.485E+00
DAV: 8 -0.904292407644E+02 0.40789E+00 -0.53277E-01 712 0.449E+00 0.179E+00
DAV: 9 -0.903370855418E+02 0.92155E-01 -0.17645E-01 712 0.200E+00 0.538E-01
DAV: 10 -0.903261558638E+02 0.10930E-01 -0.35765E-02 720 0.110E+00 0.335E-01
DAV: 11 -0.903281494025E+02 -0.19935E-02 -0.82967E-03 680 0.489E-01 0.184E-01
DAV: 12 -0.903312152249E+02 -0.30658E-02 -0.31490E-03 624 0.356E-01 0.110E-01
DAV: 13 -0.903347942461E+02 -0.35790E-02 -0.15574E-03 623 0.268E-01 0.112E-01
DAV: 14 -0.903374810249E+02 -0.26868E-02 -0.14672E-03 837 0.283E-01 0.550E-02
DAV: 15 -0.903397352043E+02 -0.22542E-02 -0.48932E-04 645 0.117E-01 0.388E-02
DAV: 16 -0.903420508307E+02 -0.23156E-02 -0.54624E-04 695 0.136E-01 0.251E-02
DAV: 17 -0.903431272771E+02 -0.10764E-02 -0.11083E-04 669 0.696E-02 0.159E-02
DAV: 18 -0.903437121216E+02 -0.58484E-03 -0.11717E-04 658 0.565E-02 0.945E-03
DAV: 19 -0.903439876476E+02 -0.27553E-03 -0.26649E-05 524 0.295E-02 0.525E-03
DAV: 20 -0.903440814612E+02 -0.93814E-04 -0.12627E-05 482 0.169E-02 0.296E-03
DAV: 21 -0.903441347940E+02 -0.53333E-04 -0.79886E-06 412 0.116E-02 0.195E-03
DAV: 22 -0.903441435094E+02 -0.87153E-05 -0.17045E-06 496 0.597E-03
1 F= -.90344144E+02 E0= -.90352573E+02 d E =0.252890E-01