iterations/neb0_image07_iter200_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 0.370629200433E+03 0.37063E+03 -0.14320E+04 632 0.799E+02
DAV: 2 0.346140459710E+01 -0.36717E+03 -0.35491E+03 869 0.194E+02
DAV: 3 -0.965030024394E+02 -0.99964E+02 -0.99666E+02 688 0.116E+02
DAV: 4 -0.101057428986E+03 -0.45544E+01 -0.45417E+01 720 0.280E+01
DAV: 5 -0.101148976745E+03 -0.91548E-01 -0.91496E-01 736 0.355E+00 0.226E+01
DAV: 6 -0.925610812453E+02 0.85879E+01 -0.30737E+01 725 0.300E+01 0.118E+01
DAV: 7 -0.917184982876E+02 0.84258E+00 -0.17222E+00 712 0.619E+00 0.479E+00
DAV: 8 -0.913467235374E+02 0.37177E+00 -0.53569E-01 720 0.396E+00 0.162E+00
DAV: 9 -0.912651729503E+02 0.81551E-01 -0.12857E-01 728 0.155E+00 0.420E-01
DAV: 10 -0.912564692989E+02 0.87037E-02 -0.41369E-02 728 0.106E+00 0.289E-01
DAV: 11 -0.912608653372E+02 -0.43960E-02 -0.11502E-02 616 0.550E-01 0.141E-01
DAV: 12 -0.912638508212E+02 -0.29855E-02 -0.25324E-03 629 0.259E-01 0.956E-02
DAV: 13 -0.912675896622E+02 -0.37388E-02 -0.15221E-03 642 0.196E-01 0.507E-02
DAV: 14 -0.912710260015E+02 -0.34363E-02 -0.99172E-04 738 0.238E-01 0.491E-02
DAV: 15 -0.912722970927E+02 -0.12711E-02 -0.41373E-04 672 0.121E-01 0.375E-02
DAV: 16 -0.912731699537E+02 -0.87286E-03 -0.20023E-04 752 0.827E-02 0.142E-02
DAV: 17 -0.912740415480E+02 -0.87159E-03 -0.12820E-04 728 0.585E-02 0.158E-02
DAV: 18 -0.912742841001E+02 -0.24255E-03 -0.25677E-05 600 0.378E-02 0.688E-03
DAV: 19 -0.912744345562E+02 -0.15046E-03 -0.36141E-05 618 0.288E-02 0.679E-03
DAV: 20 -0.912744445255E+02 -0.99694E-05 -0.16019E-06 528 0.119E-02
1 F= -.91274445E+02 E0= -.91278867E+02 d E =0.132669E-01