iterations/neb0_image08_iter297_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 0.374803168634E+03 0.37480E+03 -0.14285E+04 624 0.799E+02
DAV: 2 0.369091095541E+01 -0.37111E+03 -0.35966E+03 877 0.195E+02
DAV: 3 -0.965022773189E+02 -0.10019E+03 -0.99853E+02 656 0.117E+02
DAV: 4 -0.101235410795E+03 -0.47331E+01 -0.47220E+01 704 0.295E+01
DAV: 5 -0.101328780206E+03 -0.93369E-01 -0.93330E-01 736 0.376E+00 0.227E+01
DAV: 6 -0.926446399698E+02 0.86841E+01 -0.30986E+01 714 0.302E+01 0.119E+01
DAV: 7 -0.917812549360E+02 0.86339E+00 -0.17126E+00 728 0.614E+00 0.479E+00
DAV: 8 -0.914077343335E+02 0.37352E+00 -0.52954E-01 728 0.392E+00 0.164E+00
DAV: 9 -0.913238865456E+02 0.83848E-01 -0.13056E-01 736 0.153E+00 0.423E-01
DAV: 10 -0.913149568470E+02 0.89297E-02 -0.45470E-02 757 0.109E+00 0.302E-01
DAV: 11 -0.913200345205E+02 -0.50777E-02 -0.14662E-02 608 0.631E-01 0.161E-01
DAV: 12 -0.913226985062E+02 -0.26640E-02 -0.27818E-03 628 0.233E-01 0.114E-01
DAV: 13 -0.913267463130E+02 -0.40478E-02 -0.31969E-03 628 0.291E-01 0.634E-02
DAV: 14 -0.913297079667E+02 -0.29617E-02 -0.88199E-04 688 0.177E-01 0.250E-02
DAV: 15 -0.913315837822E+02 -0.18758E-02 -0.23006E-04 645 0.691E-02 0.202E-02
DAV: 16 -0.913324727584E+02 -0.88898E-03 -0.10777E-04 677 0.637E-02 0.123E-02
DAV: 17 -0.913330002253E+02 -0.52747E-03 -0.77009E-05 640 0.382E-02 0.113E-02
DAV: 18 -0.913330993402E+02 -0.99115E-04 -0.11430E-05 520 0.275E-02 0.427E-03
DAV: 19 -0.913332217471E+02 -0.12241E-03 -0.31361E-05 532 0.273E-02 0.701E-03
DAV: 20 -0.913332288755E+02 -0.71284E-05 -0.18220E-06 520 0.121E-02
1 F= -.91333229E+02 E0= -.91337970E+02 d E =0.142224E-01