./iterations/neb0_image03_iter291_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 0.363115296752E+03 0.36312E+03 -0.14322E+04 632 0.799E+02
DAV: 2 0.117943431447E+01 -0.36194E+03 -0.34941E+03 853 0.195E+02
DAV: 3 -0.958896610349E+02 -0.97069E+02 -0.96756E+02 664 0.115E+02
DAV: 4 -0.100278467528E+03 -0.43888E+01 -0.43798E+01 704 0.282E+01
DAV: 5 -0.100364162314E+03 -0.85695E-01 -0.85675E-01 736 0.354E+00 0.222E+01
DAV: 6 -0.916934991630E+02 0.86707E+01 -0.31468E+01 672 0.300E+01 0.117E+01
DAV: 7 -0.908647234752E+02 0.82878E+00 -0.17843E+00 704 0.630E+00 0.484E+00
DAV: 8 -0.904776468801E+02 0.38708E+00 -0.55075E-01 696 0.427E+00 0.170E+00
DAV: 9 -0.903887694904E+02 0.88877E-01 -0.13800E-01 712 0.173E+00 0.444E-01
DAV: 10 -0.903825776957E+02 0.61918E-02 -0.42653E-02 720 0.117E+00 0.325E-01
DAV: 11 -0.903859020480E+02 -0.33244E-02 -0.53496E-03 632 0.571E-01 0.129E-01
DAV: 12 -0.903893083018E+02 -0.34063E-02 -0.51593E-03 616 0.346E-01 0.109E-01
DAV: 13 -0.903935703795E+02 -0.42621E-02 -0.11312E-03 727 0.221E-01 0.743E-02
DAV: 14 -0.903972450065E+02 -0.36746E-02 -0.13473E-03 648 0.161E-01 0.496E-02
DAV: 15 -0.903993304081E+02 -0.20854E-02 -0.31685E-04 680 0.113E-01 0.197E-02
DAV: 16 -0.904006897373E+02 -0.13593E-02 -0.29813E-04 650 0.883E-02 0.297E-02
DAV: 17 -0.904009854599E+02 -0.29572E-03 -0.78597E-05 704 0.689E-02 0.133E-02
DAV: 18 -0.904014170152E+02 -0.43156E-03 -0.87680E-05 628 0.473E-02 0.109E-02
DAV: 19 -0.904015574619E+02 -0.14045E-03 -0.15047E-05 477 0.213E-02 0.768E-03
DAV: 20 -0.904016367889E+02 -0.79327E-04 -0.17608E-05 512 0.226E-02 0.290E-03
DAV: 21 -0.904016722384E+02 -0.35450E-04 -0.64207E-06 482 0.128E-02 0.278E-03
DAV: 22 -0.904016828573E+02 -0.10619E-04 -0.18286E-06 432 0.609E-03 0.201E-03
DAV: 23 -0.904016861456E+02 -0.32883E-05 -0.11755E-06 493 0.736E-03
1 F= -.90401686E+02 E0= -.90410145E+02 d E =0.253779E-01