./iterations/neb0_image07_iter176_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 0.371164513101E+03 0.37116E+03 -0.14321E+04 632 0.799E+02
DAV: 2 0.322055631906E+01 -0.36794E+03 -0.35531E+03 869 0.194E+02
DAV: 3 -0.962672896548E+02 -0.99488E+02 -0.99164E+02 664 0.116E+02
DAV: 4 -0.101017580439E+03 -0.47503E+01 -0.47386E+01 696 0.291E+01
DAV: 5 -0.101116395020E+03 -0.98815E-01 -0.98748E-01 736 0.375E+00 0.226E+01
DAV: 6 -0.925504290857E+02 0.85660E+01 -0.30457E+01 736 0.298E+01 0.119E+01
DAV: 7 -0.917025398358E+02 0.84789E+00 -0.17189E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913333194345E+02 0.36922E+00 -0.52637E-01 728 0.395E+00 0.163E+00
DAV: 9 -0.912523682665E+02 0.80951E-01 -0.13075E-01 728 0.157E+00 0.419E-01
DAV: 10 -0.912440139444E+02 0.83543E-02 -0.43055E-02 749 0.109E+00 0.298E-01
DAV: 11 -0.912482345970E+02 -0.42207E-02 -0.11973E-02 608 0.576E-01 0.137E-01
DAV: 12 -0.912511811311E+02 -0.29465E-02 -0.27425E-03 642 0.260E-01 0.944E-02
DAV: 13 -0.912549201638E+02 -0.37390E-02 -0.12522E-03 626 0.182E-01 0.488E-02
DAV: 14 -0.912581147726E+02 -0.31946E-02 -0.64248E-04 802 0.178E-01 0.355E-02
DAV: 15 -0.912594555744E+02 -0.13408E-02 -0.26131E-04 680 0.992E-02 0.323E-02
DAV: 16 -0.912605612611E+02 -0.11057E-02 -0.17233E-04 674 0.697E-02 0.127E-02
DAV: 17 -0.912612859498E+02 -0.72469E-03 -0.74010E-05 645 0.411E-02 0.117E-02
DAV: 18 -0.912615952636E+02 -0.30931E-03 -0.44570E-05 672 0.401E-02 0.811E-03
DAV: 19 -0.912616777269E+02 -0.82463E-04 -0.89832E-06 448 0.206E-02 0.418E-03
DAV: 20 -0.912616990314E+02 -0.21305E-04 -0.84702E-06 512 0.163E-02 0.262E-03
DAV: 21 -0.912617229846E+02 -0.23953E-04 -0.28106E-06 409 0.101E-02 0.756E-04
DAV: 22 -0.912617304356E+02 -0.74510E-05 -0.13843E-06 466 0.471E-03
1 F= -.91261730E+02 E0= -.91267164E+02 d E =0.163011E-01