iterations/neb0_image07_iter152_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 0.371571508071E+03 0.37157E+03 -0.14317E+04 632 0.799E+02
DAV: 2 0.352966042428E+01 -0.36804E+03 -0.35557E+03 869 0.194E+02
DAV: 3 -0.962223018187E+02 -0.99752E+02 -0.99431E+02 669 0.116E+02
DAV: 4 -0.100982429336E+03 -0.47601E+01 -0.47480E+01 704 0.288E+01
DAV: 5 -0.101081215115E+03 -0.98786E-01 -0.98715E-01 728 0.370E+00 0.226E+01
DAV: 6 -0.924982097278E+02 0.85830E+01 -0.30520E+01 712 0.299E+01 0.118E+01
DAV: 7 -0.916517753358E+02 0.84643E+00 -0.17263E+00 712 0.619E+00 0.478E+00
DAV: 8 -0.912833057260E+02 0.36847E+00 -0.52521E-01 728 0.395E+00 0.165E+00
DAV: 9 -0.912018183130E+02 0.81487E-01 -0.13026E-01 720 0.159E+00 0.423E-01
DAV: 10 -0.911933142618E+02 0.85041E-02 -0.36868E-02 770 0.102E+00 0.280E-01
DAV: 11 -0.911972780113E+02 -0.39637E-02 -0.93240E-03 608 0.517E-01 0.128E-01
DAV: 12 -0.912000328764E+02 -0.27549E-02 -0.20468E-03 635 0.261E-01 0.862E-02
DAV: 13 -0.912038584914E+02 -0.38256E-02 -0.13885E-03 639 0.182E-01 0.611E-02
DAV: 14 -0.912062362554E+02 -0.23778E-02 -0.44941E-04 816 0.162E-01 0.291E-02
DAV: 15 -0.912085161941E+02 -0.22799E-02 -0.30149E-04 636 0.860E-02 0.296E-02
DAV: 16 -0.912099286653E+02 -0.14125E-02 -0.16115E-04 717 0.698E-02 0.194E-02
DAV: 17 -0.912106465226E+02 -0.71786E-03 -0.13713E-04 696 0.603E-02 0.133E-02
DAV: 18 -0.912108445575E+02 -0.19803E-03 -0.20362E-05 496 0.270E-02 0.667E-03
DAV: 19 -0.912109750970E+02 -0.13054E-03 -0.29628E-05 527 0.240E-02 0.485E-03
DAV: 20 -0.912109847871E+02 -0.96901E-05 -0.17944E-06 520 0.108E-02
1 F= -.91210985E+02 E0= -.91217081E+02 d E =0.182892E-01