iterations/neb0_image07_iter15_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 0.365706766203E+03 0.36571E+03 -0.14223E+04 624 0.799E+02
DAV: 2 0.238757250300E+01 -0.36332E+03 -0.35122E+03 874 0.194E+02
DAV: 3 -0.955375883922E+02 -0.97925E+02 -0.97558E+02 706 0.115E+02
DAV: 4 -0.995948403748E+02 -0.40573E+01 -0.40428E+01 736 0.259E+01
DAV: 5 -0.996760374522E+02 -0.81197E-01 -0.81158E-01 712 0.326E+00 0.217E+01
DAV: 6 -0.911434365018E+02 0.85326E+01 -0.31012E+01 704 0.301E+01 0.113E+01
DAV: 7 -0.903271376303E+02 0.81630E+00 -0.16841E+00 736 0.675E+00 0.481E+00
DAV: 8 -0.899540558769E+02 0.37308E+00 -0.70509E-01 712 0.454E+00 0.168E+00
DAV: 9 -0.898704989558E+02 0.83557E-01 -0.14021E-01 717 0.182E+00 0.510E-01
DAV: 10 -0.898603819639E+02 0.10117E-01 -0.23468E-02 736 0.726E-01 0.285E-01
DAV: 11 -0.898628615807E+02 -0.24796E-02 -0.13916E-02 605 0.715E-01 0.179E-01
DAV: 12 -0.898643772680E+02 -0.15157E-02 -0.39894E-03 658 0.444E-01 0.104E-01
DAV: 13 -0.898689459391E+02 -0.45687E-02 -0.39373E-03 622 0.337E-01 0.108E-01
DAV: 14 -0.898711420429E+02 -0.21961E-02 -0.13706E-03 688 0.220E-01 0.497E-02
DAV: 15 -0.898740913511E+02 -0.29493E-02 -0.14793E-03 701 0.243E-01 0.609E-02
DAV: 16 -0.898752495997E+02 -0.11582E-02 -0.32682E-04 917 0.139E-01 0.292E-02
DAV: 17 -0.898758592969E+02 -0.60970E-03 -0.17613E-04 680 0.738E-02 0.115E-02
DAV: 18 -0.898765822295E+02 -0.72293E-03 -0.67749E-05 644 0.383E-02 0.955E-03
DAV: 19 -0.898768882059E+02 -0.30598E-03 -0.25595E-05 597 0.258E-02 0.534E-03
DAV: 20 -0.898769847589E+02 -0.96553E-04 -0.13444E-05 469 0.210E-02 0.273E-03
DAV: 21 -0.898770227356E+02 -0.37977E-04 -0.53633E-06 444 0.110E-02 0.210E-03
DAV: 22 -0.898770298415E+02 -0.71059E-05 -0.15518E-06 512 0.688E-03
1 F= -.89877030E+02 E0= -.89881490E+02 d E =0.133800E-01