iterations/neb0_image06_iter110_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 0.376336272564E+03 0.37634E+03 -0.14315E+04 632 0.799E+02
DAV: 2 0.392312136435E+01 -0.37241E+03 -0.36038E+03 877 0.195E+02
DAV: 3 -0.955661790321E+02 -0.99489E+02 -0.99158E+02 645 0.117E+02
DAV: 4 -0.100288020478E+03 -0.47218E+01 -0.47109E+01 704 0.294E+01
DAV: 5 -0.100384826502E+03 -0.96806E-01 -0.96757E-01 728 0.375E+00 0.227E+01
DAV: 6 -0.917739313145E+02 0.86109E+01 -0.30727E+01 695 0.305E+01 0.118E+01
DAV: 7 -0.909387020368E+02 0.83523E+00 -0.17180E+00 728 0.628E+00 0.481E+00
DAV: 8 -0.905603569353E+02 0.37835E+00 -0.51387E-01 720 0.400E+00 0.166E+00
DAV: 9 -0.904705942469E+02 0.89763E-01 -0.13150E-01 720 0.168E+00 0.419E-01
DAV: 10 -0.904616570456E+02 0.89372E-02 -0.37509E-02 784 0.995E-01 0.294E-01
DAV: 11 -0.904661057241E+02 -0.44487E-02 -0.13674E-02 602 0.728E-01 0.177E-01
DAV: 12 -0.904672565125E+02 -0.11508E-02 -0.24996E-03 688 0.309E-01 0.120E-01
DAV: 13 -0.904721042748E+02 -0.48478E-02 -0.45551E-03 645 0.447E-01 0.955E-02
DAV: 14 -0.904736228944E+02 -0.15186E-02 -0.65495E-04 768 0.171E-01 0.719E-02
DAV: 15 -0.904759595138E+02 -0.23366E-02 -0.90973E-04 634 0.185E-01 0.282E-02
DAV: 16 -0.904783093693E+02 -0.23499E-02 -0.35611E-04 658 0.995E-02 0.286E-02
DAV: 17 -0.904790217211E+02 -0.71235E-03 -0.41521E-05 640 0.443E-02 0.192E-02
DAV: 18 -0.904798431047E+02 -0.82138E-03 -0.21609E-04 642 0.899E-02 0.148E-02
DAV: 19 -0.904799368334E+02 -0.93729E-04 -0.21001E-05 568 0.370E-02 0.112E-02
DAV: 20 -0.904800229079E+02 -0.86074E-04 -0.27951E-05 554 0.292E-02 0.479E-03
DAV: 21 -0.904800973679E+02 -0.74460E-04 -0.60078E-06 442 0.126E-02 0.339E-03
DAV: 22 -0.904801296684E+02 -0.32300E-04 -0.58032E-06 453 0.120E-02 0.353E-03
DAV: 23 -0.904801406703E+02 -0.11002E-04 -0.20419E-06 435 0.110E-02 0.226E-03
DAV: 24 -0.904801412450E+02 -0.57472E-06 -0.10341E-06 541 0.549E-03
1 F= -.90480141E+02 E0= -.90488101E+02 d E =0.238796E-01