iterations/neb0_image08_iter6_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 0.367162575124E+03 0.36716E+03 -0.14243E+04 624 0.799E+02
DAV: 2 0.189585497301E+01 -0.36527E+03 -0.35299E+03 882 0.195E+02
DAV: 3 -0.958413765922E+02 -0.97737E+02 -0.97383E+02 680 0.115E+02
DAV: 4 -0.100270560926E+03 -0.44292E+01 -0.44145E+01 720 0.276E+01
DAV: 5 -0.100362209966E+03 -0.91649E-01 -0.91596E-01 728 0.354E+00 0.220E+01
DAV: 6 -0.918456822381E+02 0.85165E+01 -0.30712E+01 717 0.299E+01 0.115E+01
DAV: 7 -0.910162542975E+02 0.82943E+00 -0.16872E+00 696 0.652E+00 0.479E+00
DAV: 8 -0.906393829824E+02 0.37687E+00 -0.62783E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.905539878113E+02 0.85395E-01 -0.14066E-01 712 0.179E+00 0.470E-01
DAV: 10 -0.905446009450E+02 0.93869E-02 -0.22080E-02 792 0.727E-01 0.273E-01
DAV: 11 -0.905471996324E+02 -0.25987E-02 -0.13748E-02 605 0.674E-01 0.182E-01
DAV: 12 -0.905490083443E+02 -0.18087E-02 -0.46379E-03 760 0.474E-01 0.106E-01
DAV: 13 -0.905534226695E+02 -0.44143E-02 -0.45556E-03 638 0.364E-01 0.114E-01
DAV: 14 -0.905553902153E+02 -0.19675E-02 -0.12999E-03 832 0.223E-01 0.443E-02
DAV: 15 -0.905582500793E+02 -0.28599E-02 -0.10518E-03 690 0.194E-01 0.505E-02
DAV: 16 -0.905599374890E+02 -0.16874E-02 -0.22247E-04 768 0.978E-02 0.261E-02
DAV: 17 -0.905608187797E+02 -0.88129E-03 -0.22173E-04 669 0.844E-02 0.137E-02
DAV: 18 -0.905613962907E+02 -0.57751E-03 -0.49914E-05 591 0.378E-02 0.104E-02
DAV: 19 -0.905616082820E+02 -0.21199E-03 -0.32131E-05 581 0.309E-02 0.371E-03
DAV: 20 -0.905616911171E+02 -0.82835E-04 -0.91717E-06 447 0.176E-02 0.247E-03
DAV: 21 -0.905617154234E+02 -0.24306E-04 -0.36510E-06 480 0.803E-03 0.214E-03
DAV: 22 -0.905617235828E+02 -0.81594E-05 -0.17321E-06 447 0.871E-03
1 F= -.90561724E+02 E0= -.90565649E+02 d E =0.117761E-01