iterations/neb0_image02_iter192_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 0.367001445360E+03 0.36700E+03 -0.14298E+04 624 0.799E+02
DAV: 2 0.213659949796E+01 -0.36486E+03 -0.35279E+03 861 0.196E+02
DAV: 3 -0.955544827835E+02 -0.97691E+02 -0.97357E+02 640 0.116E+02
DAV: 4 -0.100246073413E+03 -0.46916E+01 -0.46806E+01 720 0.295E+01
DAV: 5 -0.100338754746E+03 -0.92681E-01 -0.92645E-01 736 0.372E+00 0.222E+01
DAV: 6 -0.916793284655E+02 0.86594E+01 -0.30926E+01 680 0.299E+01 0.117E+01
DAV: 7 -0.908592798934E+02 0.82005E+00 -0.18441E+00 712 0.637E+00 0.484E+00
DAV: 8 -0.904781445486E+02 0.38114E+00 -0.55296E-01 704 0.431E+00 0.170E+00
DAV: 9 -0.903915350775E+02 0.86609E-01 -0.13714E-01 720 0.168E+00 0.430E-01
DAV: 10 -0.903861797579E+02 0.53553E-02 -0.49798E-02 704 0.128E+00 0.331E-01
DAV: 11 -0.903897722309E+02 -0.35925E-02 -0.78759E-03 616 0.591E-01 0.124E-01
DAV: 12 -0.903928187458E+02 -0.30465E-02 -0.70460E-03 648 0.428E-01 0.136E-01
DAV: 13 -0.903953857820E+02 -0.25670E-02 -0.19175E-03 853 0.344E-01 0.824E-02
DAV: 14 -0.903986049572E+02 -0.32192E-02 -0.14168E-03 623 0.176E-01 0.705E-02
DAV: 15 -0.904004864396E+02 -0.18815E-02 -0.32637E-04 696 0.107E-01 0.523E-02
DAV: 16 -0.904019936728E+02 -0.15072E-02 -0.10471E-03 680 0.189E-01 0.407E-02
DAV: 17 -0.904026814497E+02 -0.68778E-03 -0.16415E-04 792 0.895E-02 0.249E-02
DAV: 18 -0.904029884601E+02 -0.30701E-03 -0.75203E-05 672 0.413E-02 0.971E-03
DAV: 19 -0.904031681735E+02 -0.17971E-03 -0.38698E-05 594 0.319E-02 0.617E-03
DAV: 20 -0.904031987839E+02 -0.30610E-04 -0.41082E-06 504 0.139E-02 0.562E-03
DAV: 21 -0.904032562404E+02 -0.57457E-04 -0.11536E-05 409 0.178E-02 0.352E-03
DAV: 22 -0.904032624187E+02 -0.61783E-05 -0.42946E-06 496 0.125E-02
1 F= -.90403262E+02 E0= -.90410053E+02 d E =0.203727E-01