iterations/neb0_image04_iter170_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 0.363866392311E+03 0.36387E+03 -0.14358E+04 640 0.799E+02
DAV: 2 0.116854036116E+01 -0.36270E+03 -0.34981E+03 866 0.194E+02
DAV: 3 -0.960154054948E+02 -0.97184E+02 -0.96882E+02 666 0.115E+02
DAV: 4 -0.100254434299E+03 -0.42390E+01 -0.42295E+01 696 0.278E+01
DAV: 5 -0.100334822464E+03 -0.80388E-01 -0.80352E-01 736 0.348E+00 0.223E+01
DAV: 6 -0.916189483784E+02 0.87159E+01 -0.30980E+01 690 0.297E+01 0.117E+01
DAV: 7 -0.907493139263E+02 0.86963E+00 -0.17843E+00 704 0.629E+00 0.484E+00
DAV: 8 -0.903374883948E+02 0.41183E+00 -0.57524E-01 704 0.430E+00 0.162E+00
DAV: 9 -0.902426170318E+02 0.94871E-01 -0.13050E-01 712 0.171E+00 0.444E-01
DAV: 10 -0.902335473934E+02 0.90696E-02 -0.43624E-02 720 0.108E+00 0.332E-01
DAV: 11 -0.902372117375E+02 -0.36643E-02 -0.65552E-03 624 0.528E-01 0.125E-01
DAV: 12 -0.902400487019E+02 -0.28370E-02 -0.34691E-03 626 0.327E-01 0.104E-01
DAV: 13 -0.902444524463E+02 -0.44037E-02 -0.14204E-03 626 0.198E-01 0.961E-02
DAV: 14 -0.902480755823E+02 -0.36231E-02 -0.16536E-03 653 0.213E-01 0.475E-02
DAV: 15 -0.902495821304E+02 -0.15065E-02 -0.19000E-04 696 0.907E-02 0.399E-02
DAV: 16 -0.902516707859E+02 -0.20887E-02 -0.57300E-04 708 0.139E-01 0.286E-02
DAV: 17 -0.902523225937E+02 -0.65181E-03 -0.77868E-05 680 0.617E-02 0.188E-02
DAV: 18 -0.902529769690E+02 -0.65438E-03 -0.13188E-04 692 0.557E-02 0.791E-03
DAV: 19 -0.902532287710E+02 -0.25180E-03 -0.24244E-05 541 0.242E-02 0.457E-03
DAV: 20 -0.902533257040E+02 -0.96933E-04 -0.11968E-05 447 0.161E-02 0.217E-03
DAV: 21 -0.902533560518E+02 -0.30348E-04 -0.43407E-06 488 0.101E-02 0.173E-03
DAV: 22 -0.902533757252E+02 -0.19673E-04 -0.28628E-06 417 0.664E-03 0.952E-04
DAV: 23 -0.902533777693E+02 -0.20441E-05 -0.91329E-07 512 0.506E-03
1 F= -.90253378E+02 E0= -.90262023E+02 d E =0.259351E-01