./iterations/neb0_image08_iter124_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 0.374830796919E+03 0.37483E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.328347222915E+01 -0.37155E+03 -0.35865E+03 869 0.196E+02
DAV: 3 -0.967260064923E+02 -0.10001E+03 -0.99669E+02 677 0.117E+02
DAV: 4 -0.101135237852E+03 -0.44092E+01 -0.43987E+01 704 0.279E+01
DAV: 5 -0.101222740515E+03 -0.87503E-01 -0.87469E-01 736 0.352E+00 0.226E+01
DAV: 6 -0.926104489677E+02 0.86123E+01 -0.30818E+01 714 0.302E+01 0.118E+01
DAV: 7 -0.917542129739E+02 0.85624E+00 -0.17020E+00 720 0.615E+00 0.480E+00
DAV: 8 -0.913774760552E+02 0.37674E+00 -0.55522E-01 704 0.402E+00 0.162E+00
DAV: 9 -0.912952228478E+02 0.82253E-01 -0.13006E-01 712 0.156E+00 0.423E-01
DAV: 10 -0.912862670974E+02 0.89558E-02 -0.45788E-02 736 0.111E+00 0.304E-01
DAV: 11 -0.912909783087E+02 -0.47112E-02 -0.13490E-02 624 0.599E-01 0.152E-01
DAV: 12 -0.912938912936E+02 -0.29130E-02 -0.29318E-03 606 0.253E-01 0.112E-01
DAV: 13 -0.912973868804E+02 -0.34956E-02 -0.13799E-03 671 0.204E-01 0.475E-02
DAV: 14 -0.913007658781E+02 -0.33790E-02 -0.77172E-04 648 0.167E-01 0.365E-02
DAV: 15 -0.913021853209E+02 -0.14194E-02 -0.21253E-04 672 0.934E-02 0.411E-02
DAV: 16 -0.913035127236E+02 -0.13274E-02 -0.41136E-04 650 0.108E-01 0.203E-02
DAV: 17 -0.913039088436E+02 -0.39612E-03 -0.75568E-05 736 0.626E-02 0.138E-02
DAV: 18 -0.913041654178E+02 -0.25657E-03 -0.40699E-05 618 0.299E-02 0.116E-02
DAV: 19 -0.913042814744E+02 -0.11606E-03 -0.15250E-05 448 0.196E-02 0.552E-03
DAV: 20 -0.913043137432E+02 -0.32269E-04 -0.66954E-06 496 0.165E-02 0.198E-03
DAV: 21 -0.913043352414E+02 -0.21498E-04 -0.59852E-06 407 0.133E-02 0.282E-03
DAV: 22 -0.913043434413E+02 -0.81999E-05 -0.14431E-06 472 0.560E-03
1 F= -.91304343E+02 E0= -.91309445E+02 d E =0.153033E-01