iterations/neb0_image08_iter18_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 0.371350317547E+03 0.37135E+03 -0.14256E+04 624 0.799E+02
DAV: 2 0.259878810710E+01 -0.36875E+03 -0.35652E+03 874 0.195E+02
DAV: 3 -0.960652500200E+02 -0.98664E+02 -0.98322E+02 664 0.116E+02
DAV: 4 -0.100609978347E+03 -0.45447E+01 -0.45326E+01 696 0.285E+01
DAV: 5 -0.100702378287E+03 -0.92400E-01 -0.92350E-01 736 0.366E+00 0.223E+01
DAV: 6 -0.921697883873E+02 0.85326E+01 -0.30765E+01 704 0.303E+01 0.116E+01
DAV: 7 -0.913603444085E+02 0.80944E+00 -0.16650E+00 720 0.628E+00 0.476E+00
DAV: 8 -0.909948862855E+02 0.36546E+00 -0.56039E-01 712 0.406E+00 0.164E+00
DAV: 9 -0.909118247785E+02 0.83062E-01 -0.12737E-01 712 0.156E+00 0.428E-01
DAV: 10 -0.909024622751E+02 0.93625E-02 -0.35253E-02 728 0.933E-01 0.281E-01
DAV: 11 -0.909072126366E+02 -0.47504E-02 -0.11689E-02 613 0.606E-01 0.170E-01
DAV: 12 -0.909087496252E+02 -0.15370E-02 -0.19231E-03 656 0.251E-01 0.105E-01
DAV: 13 -0.909136482692E+02 -0.48986E-02 -0.39877E-03 627 0.367E-01 0.838E-02
DAV: 14 -0.909145950009E+02 -0.94673E-03 -0.52920E-04 768 0.185E-01 0.493E-02
DAV: 15 -0.909174639679E+02 -0.28690E-02 -0.11812E-03 626 0.211E-01 0.454E-02
DAV: 16 -0.909186047279E+02 -0.11408E-02 -0.22598E-04 744 0.109E-01 0.266E-02
DAV: 17 -0.909196984316E+02 -0.10937E-02 -0.20518E-04 636 0.741E-02 0.872E-03
DAV: 18 -0.909201499855E+02 -0.45155E-03 -0.51959E-05 608 0.354E-02 0.127E-02
DAV: 19 -0.909203183019E+02 -0.16832E-03 -0.11777E-05 472 0.200E-02 0.851E-03
DAV: 20 -0.909203723039E+02 -0.54002E-04 -0.20488E-05 522 0.261E-02 0.290E-03
DAV: 21 -0.909204004668E+02 -0.28163E-04 -0.41545E-06 417 0.138E-02 0.101E-03
DAV: 22 -0.909204077875E+02 -0.73207E-05 -0.13207E-06 466 0.601E-03
1 F= -.90920408E+02 E0= -.90925632E+02 d E =0.156741E-01