iterations/neb0_image05_iter64_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 0.373286153585E+03 0.37329E+03 -0.14309E+04 632 0.799E+02
DAV: 2 0.449510314894E+01 -0.36879E+03 -0.35659E+03 863 0.195E+02
DAV: 3 -0.937387999973E+02 -0.98234E+02 -0.97877E+02 640 0.116E+02
DAV: 4 -0.985046583295E+02 -0.47659E+01 -0.47521E+01 720 0.300E+01
DAV: 5 -0.986073548742E+02 -0.10270E+00 -0.10265E+00 728 0.392E+00 0.219E+01
DAV: 6 -0.903769585175E+02 0.82304E+01 -0.28719E+01 680 0.289E+01 0.112E+01
DAV: 7 -0.895326827555E+02 0.84428E+00 -0.17628E+00 728 0.655E+00 0.467E+00
DAV: 8 -0.891531037514E+02 0.37958E+00 -0.60313E-01 696 0.433E+00 0.154E+00
DAV: 9 -0.890690383789E+02 0.84065E-01 -0.12219E-01 720 0.157E+00 0.430E-01
DAV: 10 -0.890580699197E+02 0.10968E-01 -0.45843E-02 725 0.113E+00 0.325E-01
DAV: 11 -0.890604532136E+02 -0.23833E-02 -0.10044E-02 640 0.556E-01 0.121E-01
DAV: 12 -0.890626970624E+02 -0.22438E-02 -0.27048E-03 666 0.269E-01 0.106E-01
DAV: 13 -0.890680013396E+02 -0.53043E-02 -0.17056E-03 780 0.274E-01 0.652E-02
DAV: 14 -0.890706378694E+02 -0.26365E-02 -0.66190E-04 674 0.125E-01 0.379E-02
DAV: 15 -0.890735776515E+02 -0.29398E-02 -0.56086E-04 744 0.125E-01 0.294E-02
DAV: 16 -0.890745838522E+02 -0.10062E-02 -0.97997E-05 776 0.686E-02 0.126E-02
DAV: 17 -0.890756444789E+02 -0.10606E-02 -0.17447E-04 647 0.637E-02 0.158E-02
DAV: 18 -0.890758607423E+02 -0.21626E-03 -0.31830E-05 576 0.440E-02 0.821E-03
DAV: 19 -0.890759659884E+02 -0.10525E-03 -0.26010E-05 624 0.300E-02 0.582E-03
DAV: 20 -0.890760649572E+02 -0.98969E-04 -0.12416E-05 444 0.171E-02 0.475E-03
DAV: 21 -0.890760960147E+02 -0.31058E-04 -0.42711E-06 472 0.957E-03 0.350E-03
DAV: 22 -0.890761057284E+02 -0.97137E-05 -0.44957E-06 464 0.144E-02
1 F= -.89076106E+02 E0= -.89079977E+02 d E =0.116150E-01