./iterations/neb0_image06_iter281_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 0.373699330324E+03 0.37370E+03 -0.14316E+04 632 0.799E+02
DAV: 2 0.657556047203E+01 -0.36712E+03 -0.35415E+03 845 0.194E+02
DAV: 3 -0.943954202348E+02 -0.10097E+03 -0.10055E+03 672 0.117E+02
DAV: 4 -0.991633133957E+02 -0.47679E+01 -0.47491E+01 728 0.290E+01
DAV: 5 -0.992596781795E+02 -0.96365E-01 -0.96317E-01 728 0.369E+00 0.222E+01
DAV: 6 -0.908877377290E+02 0.83719E+01 -0.29680E+01 688 0.302E+01 0.116E+01
DAV: 7 -0.900691959860E+02 0.81854E+00 -0.16507E+00 728 0.630E+00 0.480E+00
DAV: 8 -0.896862549646E+02 0.38294E+00 -0.58480E-01 704 0.422E+00 0.159E+00
DAV: 9 -0.896002822332E+02 0.85973E-01 -0.12176E-01 712 0.161E+00 0.436E-01
DAV: 10 -0.895902975226E+02 0.99847E-02 -0.39642E-02 704 0.977E-01 0.304E-01
DAV: 11 -0.895944876430E+02 -0.41901E-02 -0.12828E-02 608 0.641E-01 0.182E-01
DAV: 12 -0.895954517962E+02 -0.96415E-03 -0.33609E-03 672 0.356E-01 0.987E-02
DAV: 13 -0.896001936350E+02 -0.47418E-02 -0.32999E-03 633 0.313E-01 0.884E-02
DAV: 14 -0.896019388620E+02 -0.17452E-02 -0.55161E-04 824 0.190E-01 0.421E-02
DAV: 15 -0.896052154422E+02 -0.32766E-02 -0.81632E-04 627 0.151E-01 0.346E-02
DAV: 16 -0.896069646135E+02 -0.17492E-02 -0.16576E-04 677 0.761E-02 0.186E-02
DAV: 17 -0.896080021260E+02 -0.10375E-02 -0.24246E-04 802 0.849E-02 0.193E-02
DAV: 18 -0.896083838188E+02 -0.38169E-03 -0.67737E-05 720 0.600E-02 0.885E-03
DAV: 19 -0.896084539598E+02 -0.70141E-04 -0.16155E-05 496 0.222E-02 0.594E-03
DAV: 20 -0.896085285560E+02 -0.74596E-04 -0.96230E-06 415 0.185E-02 0.227E-03
DAV: 21 -0.896085786852E+02 -0.50129E-04 -0.65541E-06 461 0.132E-02 0.257E-03
DAV: 22 -0.896085928748E+02 -0.14190E-04 -0.17601E-06 456 0.613E-03 0.213E-03
DAV: 23 -0.896086001727E+02 -0.72980E-05 -0.19642E-06 408 0.990E-03
1 F= -.89608600E+02 E0= -.89613614E+02 d E =0.150408E-01