./iterations/neb0_image02_iter55_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 0.367894650373E+03 0.36789E+03 -0.14293E+04 624 0.799E+02
DAV: 2 0.462544131670E+01 -0.36327E+03 -0.34847E+03 834 0.195E+02
DAV: 3 -0.956711955400E+02 -0.10030E+03 -0.99961E+02 688 0.116E+02
DAV: 4 -0.100149507672E+03 -0.44783E+01 -0.44681E+01 696 0.279E+01
DAV: 5 -0.100236718822E+03 -0.87211E-01 -0.87169E-01 736 0.348E+00 0.222E+01
DAV: 6 -0.916435708936E+02 0.85931E+01 -0.30931E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908174894906E+02 0.82608E+00 -0.18154E+00 704 0.635E+00 0.484E+00
DAV: 8 -0.904287815801E+02 0.38871E+00 -0.56629E-01 704 0.430E+00 0.168E+00
DAV: 9 -0.903390094805E+02 0.89772E-01 -0.13994E-01 704 0.166E+00 0.436E-01
DAV: 10 -0.903323947163E+02 0.66148E-02 -0.44819E-02 736 0.126E+00 0.317E-01
DAV: 11 -0.903360598027E+02 -0.36651E-02 -0.70844E-03 605 0.467E-01 0.153E-01
DAV: 12 -0.903393251332E+02 -0.32653E-02 -0.64910E-03 629 0.461E-01 0.122E-01
DAV: 13 -0.903423252650E+02 -0.30001E-02 -0.10757E-03 784 0.292E-01 0.811E-02
DAV: 14 -0.903454084242E+02 -0.30832E-02 -0.17360E-03 637 0.202E-01 0.596E-02
DAV: 15 -0.903479639054E+02 -0.25555E-02 -0.61431E-04 773 0.173E-01 0.379E-02
DAV: 16 -0.903489611676E+02 -0.99726E-03 -0.36356E-04 672 0.987E-02 0.332E-02
DAV: 17 -0.903499391322E+02 -0.97796E-03 -0.15843E-04 652 0.742E-02 0.206E-02
DAV: 18 -0.903501894511E+02 -0.25032E-03 -0.95003E-05 680 0.544E-02 0.126E-02
DAV: 19 -0.903503864552E+02 -0.19700E-03 -0.22717E-05 495 0.321E-02 0.476E-03
DAV: 20 -0.903504602686E+02 -0.73813E-04 -0.13448E-05 472 0.175E-02 0.349E-03
DAV: 21 -0.903504909807E+02 -0.30712E-04 -0.48205E-06 450 0.164E-02 0.459E-03
DAV: 22 -0.903505113198E+02 -0.20339E-04 -0.47072E-06 426 0.112E-02 0.481E-03
DAV: 23 -0.903505125985E+02 -0.12786E-05 -0.14557E-06 504 0.106E-02
1 F= -.90350513E+02 E0= -.90356266E+02 d E =0.172592E-01