iterations/neb0_image09_iter99_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 0.374392830448E+03 0.37439E+03 -0.14279E+04 624 0.799E+02
DAV: 2 0.247089396999E+01 -0.37192E+03 -0.35957E+03 877 0.196E+02
DAV: 3 -0.966733664733E+02 -0.99144E+02 -0.98806E+02 656 0.117E+02
DAV: 4 -0.101212243355E+03 -0.45389E+01 -0.45295E+01 696 0.289E+01
DAV: 5 -0.101302235466E+03 -0.89992E-01 -0.89953E-01 736 0.368E+00 0.227E+01
DAV: 6 -0.926643747070E+02 0.86379E+01 -0.30846E+01 701 0.301E+01 0.119E+01
DAV: 7 -0.918013818983E+02 0.86299E+00 -0.17069E+00 728 0.615E+00 0.480E+00
DAV: 8 -0.914247766465E+02 0.37661E+00 -0.54703E-01 712 0.397E+00 0.163E+00
DAV: 9 -0.913424424416E+02 0.82334E-01 -0.13028E-01 704 0.155E+00 0.423E-01
DAV: 10 -0.913334782047E+02 0.89642E-02 -0.45088E-02 752 0.111E+00 0.302E-01
DAV: 11 -0.913380403877E+02 -0.45622E-02 -0.12986E-02 616 0.589E-01 0.147E-01
DAV: 12 -0.913410015849E+02 -0.29612E-02 -0.29805E-03 620 0.246E-01 0.111E-01
DAV: 13 -0.913447110521E+02 -0.37095E-02 -0.14086E-03 696 0.207E-01 0.442E-02
DAV: 14 -0.913481097182E+02 -0.33987E-02 -0.66819E-04 661 0.146E-01 0.355E-02
DAV: 15 -0.913494452546E+02 -0.13355E-02 -0.13892E-04 720 0.758E-02 0.348E-02
DAV: 16 -0.913508856673E+02 -0.14404E-02 -0.36136E-04 644 0.964E-02 0.192E-02
DAV: 17 -0.913512386427E+02 -0.35298E-03 -0.63313E-05 712 0.586E-02 0.120E-02
DAV: 18 -0.913514932843E+02 -0.25464E-03 -0.43736E-05 570 0.298E-02 0.112E-02
DAV: 19 -0.913515689852E+02 -0.75701E-04 -0.10634E-05 480 0.186E-02 0.499E-03
DAV: 20 -0.913515997200E+02 -0.30735E-04 -0.89912E-06 448 0.190E-02 0.190E-03
DAV: 21 -0.913516202010E+02 -0.20481E-04 -0.35021E-06 434 0.873E-03 0.257E-03
DAV: 22 -0.913516254422E+02 -0.52412E-05 -0.76438E-07 466 0.477E-03
1 F= -.91351625E+02 E0= -.91356382E+02 d E =0.142694E-01