./iterations/neb0_image01_iter89_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 0.366790442765E+03 0.36679E+03 -0.14300E+04 624 0.799E+02
DAV: 2 0.345321710510E+01 -0.36334E+03 -0.34996E+03 839 0.195E+02
DAV: 3 -0.957551347233E+02 -0.99208E+02 -0.98868E+02 680 0.116E+02
DAV: 4 -0.100218016844E+03 -0.44629E+01 -0.44537E+01 685 0.283E+01
DAV: 5 -0.100306083257E+03 -0.88066E-01 -0.88014E-01 736 0.355E+00 0.222E+01
DAV: 6 -0.916778218875E+02 0.86283E+01 -0.31192E+01 693 0.299E+01 0.117E+01
DAV: 7 -0.908656820388E+02 0.81214E+00 -0.18243E+00 720 0.635E+00 0.484E+00
DAV: 8 -0.904850634438E+02 0.38062E+00 -0.55455E-01 704 0.426E+00 0.168E+00
DAV: 9 -0.903997279728E+02 0.85335E-01 -0.13630E-01 704 0.164E+00 0.427E-01
DAV: 10 -0.903942971482E+02 0.54308E-02 -0.46443E-02 728 0.125E+00 0.318E-01
DAV: 11 -0.903982264018E+02 -0.39293E-02 -0.69763E-03 608 0.494E-01 0.136E-01
DAV: 12 -0.904017853837E+02 -0.35590E-02 -0.68427E-03 629 0.470E-01 0.128E-01
DAV: 13 -0.904044292653E+02 -0.26439E-02 -0.14461E-03 856 0.312E-01 0.761E-02
DAV: 14 -0.904074191130E+02 -0.29898E-02 -0.14264E-03 634 0.180E-01 0.600E-02
DAV: 15 -0.904094537633E+02 -0.20347E-02 -0.38456E-04 680 0.121E-01 0.465E-02
DAV: 16 -0.904108041693E+02 -0.13504E-02 -0.82731E-04 653 0.168E-01 0.375E-02
DAV: 17 -0.904116359505E+02 -0.83178E-03 -0.19303E-04 837 0.980E-02 0.221E-02
DAV: 18 -0.904117671913E+02 -0.13124E-03 -0.39102E-05 712 0.323E-02 0.147E-02
DAV: 19 -0.904120291138E+02 -0.26192E-03 -0.66224E-05 636 0.424E-02 0.601E-03
DAV: 20 -0.904120565913E+02 -0.27477E-04 -0.56016E-06 480 0.148E-02 0.592E-03
DAV: 21 -0.904120937233E+02 -0.37132E-04 -0.70679E-06 428 0.169E-02 0.477E-03
DAV: 22 -0.904121156852E+02 -0.21962E-04 -0.38598E-06 477 0.107E-02 0.353E-03
DAV: 23 -0.904121182511E+02 -0.25658E-05 -0.29247E-06 528 0.969E-03
1 F= -.90412118E+02 E0= -.90417170E+02 d E =0.151544E-01