iterations/neb0_image03_iter111_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 0.367069103964E+03 0.36707E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.340208868934E+01 -0.36367E+03 -0.35030E+03 837 0.195E+02
DAV: 3 -0.956875941148E+02 -0.99090E+02 -0.98775E+02 672 0.116E+02
DAV: 4 -0.100188919976E+03 -0.45013E+01 -0.44919E+01 712 0.284E+01
DAV: 5 -0.100277836478E+03 -0.88917E-01 -0.88879E-01 736 0.356E+00 0.223E+01
DAV: 6 -0.916812431898E+02 0.85966E+01 -0.30646E+01 677 0.296E+01 0.116E+01
DAV: 7 -0.908315222088E+02 0.84972E+00 -0.18269E+00 704 0.641E+00 0.483E+00
DAV: 8 -0.904271967281E+02 0.40433E+00 -0.57201E-01 688 0.436E+00 0.166E+00
DAV: 9 -0.903325927109E+02 0.94604E-01 -0.13109E-01 696 0.185E+00 0.458E-01
DAV: 10 -0.903241385736E+02 0.84541E-02 -0.37879E-02 728 0.988E-01 0.334E-01
DAV: 11 -0.903268254664E+02 -0.26869E-02 -0.75464E-03 736 0.609E-01 0.147E-01
DAV: 12 -0.903287152126E+02 -0.18897E-02 -0.31042E-03 634 0.347E-01 0.111E-01
DAV: 13 -0.903334816335E+02 -0.47664E-02 -0.30275E-03 632 0.296E-01 0.844E-02
DAV: 14 -0.903377158964E+02 -0.42343E-02 -0.10382E-03 658 0.176E-01 0.426E-02
DAV: 15 -0.903396570012E+02 -0.19411E-02 -0.33093E-04 736 0.987E-02 0.248E-02
DAV: 16 -0.903413268529E+02 -0.16699E-02 -0.14392E-04 661 0.621E-02 0.117E-02
DAV: 17 -0.903423502374E+02 -0.10234E-02 -0.10538E-04 608 0.385E-02 0.766E-03
DAV: 18 -0.903426081258E+02 -0.25789E-03 -0.24841E-05 544 0.235E-02 0.437E-03
DAV: 19 -0.903427099082E+02 -0.10178E-03 -0.74876E-06 450 0.121E-02 0.219E-03
DAV: 20 -0.903427658651E+02 -0.55957E-04 -0.73009E-06 453 0.105E-02 0.178E-03
DAV: 21 -0.903427810232E+02 -0.15158E-04 -0.20825E-06 472 0.599E-03 0.674E-04
DAV: 22 -0.903427860875E+02 -0.50644E-05 -0.11438E-06 432 0.491E-03
1 F= -.90342786E+02 E0= -.90351349E+02 d E =0.256887E-01