iterations/neb0_image05_iter82_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 0.372985499696E+03 0.37299E+03 -0.14304E+04 632 0.799E+02
DAV: 2 0.342242922520E+01 -0.36956E+03 -0.35739E+03 885 0.194E+02
DAV: 3 -0.941178258089E+02 -0.97540E+02 -0.97196E+02 645 0.116E+02
DAV: 4 -0.986357250234E+02 -0.45179E+01 -0.45066E+01 696 0.292E+01
DAV: 5 -0.987344477009E+02 -0.98723E-01 -0.98682E-01 744 0.381E+00 0.218E+01
DAV: 6 -0.904716685522E+02 0.82628E+01 -0.28813E+01 709 0.289E+01 0.112E+01
DAV: 7 -0.896184879284E+02 0.85318E+00 -0.17956E+00 720 0.676E+00 0.468E+00
DAV: 8 -0.892317912849E+02 0.38670E+00 -0.61684E-01 712 0.445E+00 0.155E+00
DAV: 9 -0.891482118277E+02 0.83579E-01 -0.12370E-01 728 0.163E+00 0.441E-01
DAV: 10 -0.891366930752E+02 0.11519E-01 -0.48352E-02 712 0.118E+00 0.334E-01
DAV: 11 -0.891383263947E+02 -0.16333E-02 -0.98416E-03 632 0.567E-01 0.118E-01
DAV: 12 -0.891405010008E+02 -0.21746E-02 -0.32550E-03 680 0.309E-01 0.117E-01
DAV: 13 -0.891458763809E+02 -0.53754E-02 -0.17199E-03 802 0.287E-01 0.651E-02
DAV: 14 -0.891485630125E+02 -0.26866E-02 -0.76901E-04 674 0.130E-01 0.425E-02
DAV: 15 -0.891518669992E+02 -0.33040E-02 -0.77426E-04 709 0.157E-01 0.343E-02
DAV: 16 -0.891526230940E+02 -0.75609E-03 -0.85585E-05 784 0.602E-02 0.225E-02
DAV: 17 -0.891536350149E+02 -0.10119E-02 -0.21175E-04 636 0.792E-02 0.132E-02
DAV: 18 -0.891540422353E+02 -0.40722E-03 -0.41948E-05 584 0.451E-02 0.744E-03
DAV: 19 -0.891541981876E+02 -0.15595E-03 -0.26764E-05 536 0.261E-02 0.563E-03
DAV: 20 -0.891542767107E+02 -0.78523E-04 -0.11310E-05 420 0.220E-02 0.286E-03
DAV: 21 -0.891543064122E+02 -0.29702E-04 -0.45221E-06 485 0.954E-03 0.288E-03
DAV: 22 -0.891543163301E+02 -0.99179E-05 -0.24525E-06 440 0.109E-02
1 F= -.89154316E+02 E0= -.89158368E+02 d E =0.121557E-01