iterations/neb0_image08_iter138_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 0.375039032416E+03 0.37504E+03 -0.14282E+04 624 0.799E+02
DAV: 2 0.346921386215E+01 -0.37157E+03 -0.35918E+03 869 0.196E+02
DAV: 3 -0.967113123276E+02 -0.10018E+03 -0.99857E+02 669 0.117E+02
DAV: 4 -0.101205338122E+03 -0.44940E+01 -0.44830E+01 728 0.283E+01
DAV: 5 -0.101293594287E+03 -0.88256E-01 -0.88225E-01 736 0.359E+00 0.227E+01
DAV: 6 -0.926392379271E+02 0.86544E+01 -0.30809E+01 706 0.300E+01 0.119E+01
DAV: 7 -0.917712250444E+02 0.86801E+00 -0.17200E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.913937740230E+02 0.37745E+00 -0.55574E-01 712 0.402E+00 0.161E+00
DAV: 9 -0.913140280614E+02 0.79746E-01 -0.13090E-01 704 0.156E+00 0.421E-01
DAV: 10 -0.913058568419E+02 0.81712E-02 -0.45474E-02 760 0.112E+00 0.304E-01
DAV: 11 -0.913103096548E+02 -0.44528E-02 -0.12297E-02 608 0.577E-01 0.134E-01
DAV: 12 -0.913135100840E+02 -0.32004E-02 -0.30513E-03 622 0.259E-01 0.113E-01
DAV: 13 -0.913168870399E+02 -0.33770E-02 -0.10848E-03 709 0.192E-01 0.473E-02
DAV: 14 -0.913200169680E+02 -0.31299E-02 -0.80341E-04 664 0.150E-01 0.428E-02
DAV: 15 -0.913217586738E+02 -0.17417E-02 -0.21023E-04 720 0.954E-02 0.409E-02
DAV: 16 -0.913229435886E+02 -0.11849E-02 -0.39665E-04 645 0.983E-02 0.205E-02
DAV: 17 -0.913233331647E+02 -0.38958E-03 -0.75279E-05 752 0.582E-02 0.145E-02
DAV: 18 -0.913236018338E+02 -0.26867E-03 -0.46970E-05 620 0.300E-02 0.990E-03
DAV: 19 -0.913236493600E+02 -0.47526E-04 -0.63602E-06 496 0.150E-02 0.447E-03
DAV: 20 -0.913236889412E+02 -0.39581E-04 -0.97713E-06 412 0.191E-02 0.260E-03
DAV: 21 -0.913236995994E+02 -0.10658E-04 -0.24383E-06 488 0.794E-03 0.284E-03
DAV: 22 -0.913237041205E+02 -0.45211E-05 -0.76822E-07 420 0.584E-03
1 F= -.91323704E+02 E0= -.91328706E+02 d E =0.150048E-01