iterations/neb0_image05_iter16_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 0.356854288482E+03 0.35685E+03 -0.14211E+04 632 0.799E+02
DAV: 2 0.460121892523E+01 -0.35225E+03 -0.34053E+03 863 0.192E+02
DAV: 3 -0.914212173235E+02 -0.96022E+02 -0.95463E+02 685 0.114E+02
DAV: 4 -0.961835443648E+02 -0.47623E+01 -0.47425E+01 712 0.277E+01
DAV: 5 -0.962916421991E+02 -0.10810E+00 -0.10803E+00 720 0.365E+00 0.209E+01
DAV: 6 -0.882823332787E+02 0.80093E+01 -0.30757E+01 712 0.298E+01 0.108E+01
DAV: 7 -0.875925170886E+02 0.68982E+00 -0.15708E+00 720 0.716E+00 0.469E+00
DAV: 8 -0.872582840335E+02 0.33423E+00 -0.65387E-01 712 0.438E+00 0.169E+00
DAV: 9 -0.871835713202E+02 0.74713E-01 -0.14519E-01 717 0.188E+00 0.515E-01
DAV: 10 -0.871760073552E+02 0.75640E-02 -0.19765E-02 792 0.865E-01 0.272E-01
DAV: 11 -0.871769040655E+02 -0.89671E-03 -0.11620E-02 608 0.620E-01 0.169E-01
DAV: 12 -0.871792356785E+02 -0.23316E-02 -0.25915E-03 760 0.346E-01 0.983E-02
DAV: 13 -0.871835335771E+02 -0.42979E-02 -0.25325E-03 625 0.270E-01 0.924E-02
DAV: 14 -0.871864786033E+02 -0.29450E-02 -0.10865E-03 680 0.189E-01 0.399E-02
DAV: 15 -0.871888827031E+02 -0.24041E-02 -0.74928E-04 658 0.157E-01 0.474E-02
DAV: 16 -0.871899660635E+02 -0.10834E-02 -0.24970E-04 853 0.116E-01 0.307E-02
DAV: 17 -0.871905065740E+02 -0.54051E-03 -0.24379E-04 712 0.983E-02 0.263E-02
DAV: 18 -0.871908932848E+02 -0.38671E-03 -0.71844E-05 682 0.590E-02 0.155E-02
DAV: 19 -0.871912075835E+02 -0.31430E-03 -0.67265E-05 653 0.459E-02 0.789E-03
DAV: 20 -0.871913114879E+02 -0.10390E-03 -0.10086E-05 485 0.184E-02 0.386E-03
DAV: 21 -0.871913740806E+02 -0.62593E-04 -0.10113E-05 444 0.149E-02 0.239E-03
DAV: 22 -0.871913923674E+02 -0.18287E-04 -0.35554E-06 469 0.922E-03 0.187E-03
DAV: 23 -0.871913972299E+02 -0.48625E-05 -0.10732E-06 444 0.481E-03
1 F= -.87191397E+02 E0= -.87195282E+02 d E =0.116548E-01