./iterations/neb0_image03_iter204_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 0.364078397782E+03 0.36408E+03 -0.14325E+04 632 0.799E+02
DAV: 2 -0.393383941796E-01 -0.36412E+03 -0.35414E+03 855 0.195E+02
DAV: 3 -0.960727824830E+02 -0.96033E+02 -0.95724E+02 669 0.115E+02
DAV: 4 -0.100285344599E+03 -0.42126E+01 -0.42009E+01 712 0.273E+01
DAV: 5 -0.100368784326E+03 -0.83440E-01 -0.83403E-01 736 0.344E+00 0.222E+01
DAV: 6 -0.917313140900E+02 0.86375E+01 -0.31001E+01 688 0.298E+01 0.117E+01
DAV: 7 -0.908868637160E+02 0.84445E+00 -0.18207E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904917679276E+02 0.39510E+00 -0.56132E-01 696 0.428E+00 0.169E+00
DAV: 9 -0.903961756283E+02 0.95592E-01 -0.12973E-01 720 0.177E+00 0.440E-01
DAV: 10 -0.903883799428E+02 0.77957E-02 -0.47143E-02 728 0.119E+00 0.340E-01
DAV: 11 -0.903924576856E+02 -0.40777E-02 -0.10429E-02 624 0.688E-01 0.129E-01
DAV: 12 -0.903948340367E+02 -0.23764E-02 -0.47662E-03 632 0.348E-01 0.118E-01
DAV: 13 -0.903992305692E+02 -0.43965E-02 -0.29814E-03 706 0.394E-01 0.851E-02
DAV: 14 -0.904024585432E+02 -0.32280E-02 -0.10313E-03 669 0.170E-01 0.579E-02
DAV: 15 -0.904045999958E+02 -0.21415E-02 -0.50032E-04 656 0.124E-01 0.214E-02
DAV: 16 -0.904064392644E+02 -0.18393E-02 -0.23065E-04 661 0.763E-02 0.228E-02
DAV: 17 -0.904069111202E+02 -0.47186E-03 -0.41131E-05 640 0.503E-02 0.129E-02
DAV: 18 -0.904075794794E+02 -0.66836E-03 -0.18732E-04 735 0.831E-02 0.187E-02
DAV: 19 -0.904076365769E+02 -0.57098E-04 -0.28179E-05 632 0.444E-02 0.862E-03
DAV: 20 -0.904077106169E+02 -0.74040E-04 -0.28340E-05 554 0.275E-02 0.330E-03
DAV: 21 -0.904077859067E+02 -0.75290E-04 -0.97941E-06 461 0.128E-02 0.433E-03
DAV: 22 -0.904078026758E+02 -0.16769E-04 -0.25638E-06 488 0.770E-03 0.371E-03
DAV: 23 -0.904078107440E+02 -0.80681E-05 -0.48786E-06 432 0.167E-02
1 F= -.90407811E+02 E0= -.90414589E+02 d E =0.203355E-01