iterations/neb0_image01_iter293_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 0.363563759674E+03 0.36356E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.313586045780E+01 -0.36043E+03 -0.34813E+03 828 0.195E+02
DAV: 3 -0.955974135177E+02 -0.98733E+02 -0.98393E+02 653 0.116E+02
DAV: 4 -0.100261825421E+03 -0.46644E+01 -0.46517E+01 704 0.291E+01
DAV: 5 -0.100350689416E+03 -0.88864E-01 -0.88822E-01 728 0.366E+00 0.223E+01
DAV: 6 -0.917124896635E+02 0.86382E+01 -0.30899E+01 685 0.299E+01 0.117E+01
DAV: 7 -0.908927820620E+02 0.81971E+00 -0.18512E+00 720 0.637E+00 0.484E+00
DAV: 8 -0.905122257551E+02 0.38056E+00 -0.55648E-01 696 0.431E+00 0.169E+00
DAV: 9 -0.904263299504E+02 0.85896E-01 -0.13645E-01 712 0.165E+00 0.428E-01
DAV: 10 -0.904209592604E+02 0.53707E-02 -0.46287E-02 701 0.126E+00 0.319E-01
DAV: 11 -0.904246585575E+02 -0.36993E-02 -0.67474E-03 608 0.493E-01 0.142E-01
DAV: 12 -0.904281802363E+02 -0.35217E-02 -0.75332E-03 628 0.499E-01 0.134E-01
DAV: 13 -0.904307761598E+02 -0.25959E-02 -0.17519E-03 888 0.330E-01 0.763E-02
DAV: 14 -0.904338968040E+02 -0.31206E-02 -0.13184E-03 639 0.170E-01 0.586E-02
DAV: 15 -0.904359455875E+02 -0.20488E-02 -0.34967E-04 680 0.106E-01 0.454E-02
DAV: 16 -0.904375611989E+02 -0.16156E-02 -0.85861E-04 650 0.173E-01 0.370E-02
DAV: 17 -0.904382676281E+02 -0.70643E-03 -0.14662E-04 744 0.883E-02 0.242E-02
DAV: 18 -0.904384850683E+02 -0.21744E-03 -0.87620E-05 664 0.459E-02 0.951E-03
DAV: 19 -0.904386622792E+02 -0.17721E-03 -0.32444E-05 511 0.285E-02 0.463E-03
DAV: 20 -0.904386925141E+02 -0.30235E-04 -0.52773E-06 488 0.157E-02 0.632E-03
DAV: 21 -0.904387244167E+02 -0.31903E-04 -0.55606E-06 434 0.139E-02 0.501E-03
DAV: 22 -0.904387411524E+02 -0.16736E-04 -0.38217E-06 474 0.127E-02 0.247E-03
DAV: 23 -0.904387434125E+02 -0.22601E-05 -0.37009E-06 528 0.112E-02
1 F= -.90438743E+02 E0= -.90444127E+02 d E =0.161514E-01