iterations/neb0_image07_iter241_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 0.371920881831E+03 0.37192E+03 -0.14327E+04 632 0.799E+02
DAV: 2 0.385654874766E+01 -0.36806E+03 -0.35619E+03 866 0.194E+02
DAV: 3 -0.966662428180E+02 -0.10052E+03 -0.10017E+03 696 0.116E+02
DAV: 4 -0.101171491538E+03 -0.45052E+01 -0.44940E+01 688 0.280E+01
DAV: 5 -0.101260154999E+03 -0.88663E-01 -0.88610E-01 736 0.355E+00 0.227E+01
DAV: 6 -0.925948309549E+02 0.86653E+01 -0.30818E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917312181063E+02 0.86361E+00 -0.17405E+00 728 0.621E+00 0.481E+00
DAV: 8 -0.913551570677E+02 0.37606E+00 -0.54291E-01 736 0.398E+00 0.162E+00
DAV: 9 -0.912730358850E+02 0.82121E-01 -0.12994E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.912638082067E+02 0.92277E-02 -0.40650E-02 749 0.103E+00 0.290E-01
DAV: 11 -0.912683952944E+02 -0.45871E-02 -0.12689E-02 608 0.594E-01 0.156E-01
DAV: 12 -0.912711219151E+02 -0.27266E-02 -0.24076E-03 618 0.249E-01 0.914E-02
DAV: 13 -0.912751418948E+02 -0.40200E-02 -0.20573E-03 628 0.224E-01 0.552E-02
DAV: 14 -0.912775048362E+02 -0.23629E-02 -0.66717E-04 760 0.196E-01 0.376E-02
DAV: 15 -0.912799259901E+02 -0.24212E-02 -0.50193E-04 636 0.108E-01 0.353E-02
DAV: 16 -0.912807200104E+02 -0.79402E-03 -0.17311E-04 760 0.930E-02 0.985E-03
DAV: 17 -0.912815718532E+02 -0.85184E-03 -0.13379E-04 703 0.576E-02 0.171E-02
DAV: 18 -0.912817706511E+02 -0.19880E-03 -0.14043E-05 512 0.226E-02 0.125E-02
DAV: 19 -0.912819194480E+02 -0.14880E-03 -0.59474E-05 617 0.453E-02 0.650E-03
DAV: 20 -0.912819452660E+02 -0.25818E-04 -0.50926E-06 512 0.185E-02 0.396E-03
DAV: 21 -0.912819573349E+02 -0.12069E-04 -0.31916E-06 421 0.909E-03 0.156E-03
DAV: 22 -0.912819688071E+02 -0.11472E-04 -0.16595E-06 434 0.616E-03 0.603E-04
DAV: 23 -0.912819708255E+02 -0.20184E-05 -0.59956E-07 498 0.338E-03
1 F= -.91281971E+02 E0= -.91287968E+02 d E =0.179919E-01