iterations/neb0_image02_iter187_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 0.366751630414E+03 0.36675E+03 -0.14295E+04 624 0.799E+02
DAV: 2 0.177910767583E+01 -0.36497E+03 -0.35366E+03 861 0.195E+02
DAV: 3 -0.957684218317E+02 -0.97548E+02 -0.97212E+02 656 0.116E+02
DAV: 4 -0.100232773760E+03 -0.44644E+01 -0.44541E+01 720 0.286E+01
DAV: 5 -0.100319848139E+03 -0.87074E-01 -0.87047E-01 752 0.360E+00 0.222E+01
DAV: 6 -0.916734458190E+02 0.86464E+01 -0.31087E+01 688 0.300E+01 0.117E+01
DAV: 7 -0.908607472059E+02 0.81270E+00 -0.18384E+00 704 0.637E+00 0.485E+00
DAV: 8 -0.904796113952E+02 0.38114E+00 -0.55287E-01 704 0.430E+00 0.170E+00
DAV: 9 -0.903923873684E+02 0.87224E-01 -0.13751E-01 712 0.168E+00 0.430E-01
DAV: 10 -0.903869176679E+02 0.54697E-02 -0.50324E-02 712 0.129E+00 0.331E-01
DAV: 11 -0.903904539474E+02 -0.35363E-02 -0.78256E-03 616 0.578E-01 0.128E-01
DAV: 12 -0.903936201865E+02 -0.31662E-02 -0.74762E-03 648 0.450E-01 0.139E-01
DAV: 13 -0.903960752948E+02 -0.24551E-02 -0.20358E-03 880 0.355E-01 0.822E-02
DAV: 14 -0.903992791716E+02 -0.32039E-02 -0.14567E-03 631 0.181E-01 0.712E-02
DAV: 15 -0.904011512884E+02 -0.18721E-02 -0.33151E-04 680 0.105E-01 0.553E-02
DAV: 16 -0.904026608899E+02 -0.15096E-02 -0.11049E-03 672 0.197E-01 0.401E-02
DAV: 17 -0.904033841247E+02 -0.72323E-03 -0.14754E-04 680 0.838E-02 0.298E-02
DAV: 18 -0.904037087914E+02 -0.32467E-03 -0.10492E-04 664 0.496E-02 0.109E-02
DAV: 19 -0.904038785583E+02 -0.16977E-03 -0.46227E-05 650 0.346E-02 0.766E-03
DAV: 20 -0.904039083218E+02 -0.29764E-04 -0.41619E-06 504 0.151E-02 0.639E-03
DAV: 21 -0.904039561174E+02 -0.47796E-04 -0.91453E-06 417 0.155E-02 0.416E-03
DAV: 22 -0.904039654886E+02 -0.93712E-05 -0.49890E-06 488 0.135E-02
1 F= -.90403965E+02 E0= -.90410423E+02 d E =0.193718E-01