./iterations/neb0_image03_iter149_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 0.364804980515E+03 0.36480E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.112630293988E+01 -0.36368E+03 -0.35231E+03 861 0.195E+02
DAV: 3 -0.960794543162E+02 -0.97206E+02 -0.96895E+02 688 0.115E+02
DAV: 4 -0.100198525457E+03 -0.41191E+01 -0.41092E+01 696 0.269E+01
DAV: 5 -0.100278081825E+03 -0.79556E-01 -0.79524E-01 736 0.338E+00 0.222E+01
DAV: 6 -0.916812231607E+02 0.85969E+01 -0.30753E+01 680 0.298E+01 0.116E+01
DAV: 7 -0.908430005806E+02 0.83822E+00 -0.17977E+00 704 0.637E+00 0.482E+00
DAV: 8 -0.904437475916E+02 0.39925E+00 -0.55844E-01 704 0.436E+00 0.169E+00
DAV: 9 -0.903484985580E+02 0.95249E-01 -0.12622E-01 696 0.188E+00 0.465E-01
DAV: 10 -0.903394829356E+02 0.90156E-02 -0.43019E-02 720 0.107E+00 0.347E-01
DAV: 11 -0.903414371127E+02 -0.19542E-02 -0.62338E-03 744 0.622E-01 0.146E-01
DAV: 12 -0.903441471132E+02 -0.27100E-02 -0.57167E-03 621 0.353E-01 0.124E-01
DAV: 13 -0.903488847977E+02 -0.47377E-02 -0.33688E-03 762 0.381E-01 0.917E-02
DAV: 14 -0.903528198131E+02 -0.39350E-02 -0.85213E-04 669 0.195E-01 0.547E-02
DAV: 15 -0.903550101975E+02 -0.21904E-02 -0.68934E-04 661 0.143E-01 0.252E-02
DAV: 16 -0.903566037009E+02 -0.15935E-02 -0.18008E-04 672 0.722E-02 0.153E-02
DAV: 17 -0.903575270678E+02 -0.92337E-03 -0.82374E-05 618 0.430E-02 0.821E-03
DAV: 18 -0.903579660830E+02 -0.43902E-03 -0.47053E-05 600 0.274E-02 0.660E-03
DAV: 19 -0.903581481917E+02 -0.18211E-03 -0.17743E-05 506 0.265E-02 0.342E-03
DAV: 20 -0.903582139738E+02 -0.65782E-04 -0.10995E-05 456 0.147E-02 0.478E-03
DAV: 21 -0.903582278878E+02 -0.13914E-04 -0.26565E-06 496 0.120E-02 0.241E-03
DAV: 22 -0.903582457319E+02 -0.17844E-04 -0.85067E-06 429 0.178E-02 0.448E-03
DAV: 23 -0.903582480462E+02 -0.23143E-05 -0.19382E-06 512 0.124E-02
1 F= -.90358248E+02 E0= -.90367249E+02 d E =0.270017E-01