iterations/neb0_image05_iter166_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 0.367989488618E+03 0.36799E+03 -0.14334E+04 632 0.799E+02
DAV: 2 0.261939438028E+01 -0.36537E+03 -0.35209E+03 861 0.194E+02
DAV: 3 -0.951859684707E+02 -0.97805E+02 -0.97467E+02 637 0.116E+02
DAV: 4 -0.999624510653E+02 -0.47765E+01 -0.47652E+01 712 0.297E+01
DAV: 5 -0.100059663987E+03 -0.97213E-01 -0.97164E-01 744 0.377E+00 0.222E+01
DAV: 6 -0.915519526149E+02 0.85077E+01 -0.30258E+01 672 0.296E+01 0.117E+01
DAV: 7 -0.907371688205E+02 0.81478E+00 -0.18301E+00 728 0.636E+00 0.482E+00
DAV: 8 -0.903581403259E+02 0.37903E+00 -0.54292E-01 704 0.427E+00 0.168E+00
DAV: 9 -0.902697174546E+02 0.88423E-01 -0.13713E-01 728 0.167E+00 0.437E-01
DAV: 10 -0.902619256373E+02 0.77918E-02 -0.45799E-02 752 0.130E+00 0.322E-01
DAV: 11 -0.902645695546E+02 -0.26439E-02 -0.60070E-03 632 0.486E-01 0.166E-01
DAV: 12 -0.902674967042E+02 -0.29271E-02 -0.84046E-03 624 0.525E-01 0.136E-01
DAV: 13 -0.902700901261E+02 -0.25934E-02 -0.15968E-03 872 0.319E-01 0.732E-02
DAV: 14 -0.902733620750E+02 -0.32719E-02 -0.13347E-03 631 0.163E-01 0.480E-02
DAV: 15 -0.902764857948E+02 -0.31237E-02 -0.45731E-04 669 0.963E-02 0.438E-02
DAV: 16 -0.902779500457E+02 -0.14643E-02 -0.36503E-04 712 0.110E-01 0.162E-02
DAV: 17 -0.902788361029E+02 -0.88606E-03 -0.10199E-04 658 0.488E-02 0.200E-02
DAV: 18 -0.902791919776E+02 -0.35587E-03 -0.47559E-05 600 0.327E-02 0.942E-03
DAV: 19 -0.902792977741E+02 -0.10580E-03 -0.19749E-05 477 0.237E-02 0.376E-03
DAV: 20 -0.902793492188E+02 -0.51445E-04 -0.65320E-06 453 0.115E-02 0.315E-03
DAV: 21 -0.902793744494E+02 -0.25231E-04 -0.39888E-06 426 0.838E-03 0.196E-03
DAV: 22 -0.902793772054E+02 -0.27560E-05 -0.14660E-06 512 0.627E-03
1 F= -.90279377E+02 E0= -.90287297E+02 d E =0.237589E-01