iterations/neb0_image07_iter291_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 0.373142128473E+03 0.37314E+03 -0.14329E+04 632 0.799E+02
DAV: 2 0.417392100608E+01 -0.36897E+03 -0.35807E+03 858 0.195E+02
DAV: 3 -0.964179638541E+02 -0.10059E+03 -0.10026E+03 656 0.117E+02
DAV: 4 -0.101251513441E+03 -0.48335E+01 -0.48209E+01 720 0.294E+01
DAV: 5 -0.101347602702E+03 -0.96089E-01 -0.96048E-01 728 0.372E+00 0.229E+01
DAV: 6 -0.926225087258E+02 0.87251E+01 -0.31016E+01 720 0.301E+01 0.120E+01
DAV: 7 -0.917406724473E+02 0.88184E+00 -0.17313E+00 720 0.615E+00 0.479E+00
DAV: 8 -0.913616454944E+02 0.37903E+00 -0.53250E-01 736 0.392E+00 0.163E+00
DAV: 9 -0.912764737684E+02 0.85172E-01 -0.12962E-01 736 0.152E+00 0.423E-01
DAV: 10 -0.912669766106E+02 0.94972E-02 -0.45888E-02 776 0.110E+00 0.302E-01
DAV: 11 -0.912720630359E+02 -0.50864E-02 -0.14653E-02 610 0.634E-01 0.162E-01
DAV: 12 -0.912746485824E+02 -0.25855E-02 -0.28823E-03 623 0.237E-01 0.109E-01
DAV: 13 -0.912788923340E+02 -0.42438E-02 -0.31730E-03 646 0.284E-01 0.645E-02
DAV: 14 -0.912819191199E+02 -0.30268E-02 -0.10805E-03 688 0.197E-01 0.317E-02
DAV: 15 -0.912839050937E+02 -0.19860E-02 -0.27896E-04 658 0.789E-02 0.248E-02
DAV: 16 -0.912847817971E+02 -0.87670E-03 -0.11660E-04 696 0.687E-02 0.144E-02
DAV: 17 -0.912853531675E+02 -0.57137E-03 -0.12698E-04 626 0.531E-02 0.154E-02
DAV: 18 -0.912854709056E+02 -0.11774E-03 -0.16434E-05 512 0.327E-02 0.572E-03
DAV: 19 -0.912855694900E+02 -0.98584E-04 -0.47522E-05 598 0.356E-02 0.922E-03
DAV: 20 -0.912855799013E+02 -0.10411E-04 -0.36615E-06 528 0.171E-02 0.501E-03
DAV: 21 -0.912855879209E+02 -0.80196E-05 -0.37637E-06 412 0.108E-02
1 F= -.91285588E+02 E0= -.91290420E+02 d E =0.144973E-01