./iterations/neb0_image01_iter128_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 0.366281860711E+03 0.36628E+03 -0.14299E+04 624 0.799E+02
DAV: 2 0.333863930882E+01 -0.36294E+03 -0.34976E+03 839 0.195E+02
DAV: 3 -0.957056453723E+02 -0.99044E+02 -0.98700E+02 677 0.116E+02
DAV: 4 -0.100216038418E+03 -0.45104E+01 -0.45005E+01 696 0.282E+01
DAV: 5 -0.100306155645E+03 -0.90117E-01 -0.90068E-01 744 0.355E+00 0.222E+01
DAV: 6 -0.916848470210E+02 0.86213E+01 -0.31091E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908754283861E+02 0.80942E+00 -0.18248E+00 720 0.638E+00 0.484E+00
DAV: 8 -0.904964125299E+02 0.37902E+00 -0.55884E-01 712 0.430E+00 0.167E+00
DAV: 9 -0.904132152970E+02 0.83197E-01 -0.13557E-01 712 0.164E+00 0.426E-01
DAV: 10 -0.904081718800E+02 0.50434E-02 -0.45011E-02 720 0.123E+00 0.314E-01
DAV: 11 -0.904120771313E+02 -0.39053E-02 -0.64626E-03 608 0.483E-01 0.138E-01
DAV: 12 -0.904156824877E+02 -0.36054E-02 -0.69238E-03 626 0.487E-01 0.128E-01
DAV: 13 -0.904183088089E+02 -0.26263E-02 -0.15012E-03 848 0.311E-01 0.735E-02
DAV: 14 -0.904212610803E+02 -0.29523E-02 -0.13260E-03 642 0.171E-01 0.575E-02
DAV: 15 -0.904232592115E+02 -0.19981E-02 -0.36699E-04 664 0.114E-01 0.454E-02
DAV: 16 -0.904246471987E+02 -0.13880E-02 -0.77146E-04 653 0.164E-01 0.349E-02
DAV: 17 -0.904254007998E+02 -0.75360E-03 -0.14780E-04 749 0.889E-02 0.227E-02
DAV: 18 -0.904256141448E+02 -0.21334E-03 -0.66607E-05 664 0.397E-02 0.112E-02
DAV: 19 -0.904258031814E+02 -0.18904E-03 -0.49120E-05 633 0.345E-02 0.669E-03
DAV: 20 -0.904258215098E+02 -0.18328E-04 -0.34509E-06 528 0.134E-02 0.642E-03
DAV: 21 -0.904258606130E+02 -0.39103E-04 -0.68849E-06 398 0.149E-02 0.443E-03
DAV: 22 -0.904258727632E+02 -0.12150E-04 -0.40507E-06 477 0.134E-02 0.218E-03
DAV: 23 -0.904258744062E+02 -0.16430E-05 -0.20850E-06 536 0.853E-03
1 F= -.90425874E+02 E0= -.90431154E+02 d E =0.158402E-01