iterations/neb0_image06_iter290_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 0.375619312596E+03 0.37562E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.542338296304E+01 -0.37020E+03 -0.35770E+03 869 0.195E+02
DAV: 3 -0.942304760173E+02 -0.99654E+02 -0.99246E+02 648 0.116E+02
DAV: 4 -0.990177451206E+02 -0.47873E+01 -0.47675E+01 720 0.296E+01
DAV: 5 -0.991149326326E+02 -0.97188E-01 -0.97135E-01 720 0.382E+00 0.223E+01
DAV: 6 -0.907172524037E+02 0.83977E+01 -0.29737E+01 696 0.303E+01 0.116E+01
DAV: 7 -0.898771162208E+02 0.84014E+00 -0.16702E+00 712 0.638E+00 0.482E+00
DAV: 8 -0.894812631648E+02 0.39585E+00 -0.59376E-01 704 0.426E+00 0.158E+00
DAV: 9 -0.893921411627E+02 0.89122E-01 -0.12583E-01 712 0.161E+00 0.440E-01
DAV: 10 -0.893814281309E+02 0.10713E-01 -0.39271E-02 720 0.984E-01 0.302E-01
DAV: 11 -0.893849403000E+02 -0.35122E-02 -0.10723E-02 608 0.581E-01 0.162E-01
DAV: 12 -0.893866265923E+02 -0.16863E-02 -0.28843E-03 680 0.339E-01 0.929E-02
DAV: 13 -0.893912260291E+02 -0.45994E-02 -0.26708E-03 612 0.260E-01 0.837E-02
DAV: 14 -0.893935298874E+02 -0.23039E-02 -0.68018E-04 928 0.212E-01 0.338E-02
DAV: 15 -0.893966815829E+02 -0.31517E-02 -0.56643E-04 626 0.119E-01 0.348E-02
DAV: 16 -0.893985556682E+02 -0.18741E-02 -0.19360E-04 693 0.857E-02 0.181E-02
DAV: 17 -0.893997469679E+02 -0.11913E-02 -0.26793E-04 677 0.813E-02 0.214E-02
DAV: 18 -0.893999911056E+02 -0.24414E-03 -0.39457E-05 664 0.480E-02 0.851E-03
DAV: 19 -0.894001014595E+02 -0.11035E-03 -0.27785E-05 576 0.285E-02 0.349E-03
DAV: 20 -0.894001703873E+02 -0.68928E-04 -0.58959E-06 450 0.113E-02 0.356E-03
DAV: 21 -0.894001960327E+02 -0.25645E-04 -0.27040E-06 464 0.720E-03 0.249E-03
DAV: 22 -0.894002093371E+02 -0.13304E-04 -0.27308E-06 401 0.891E-03 0.805E-04
DAV: 23 -0.894002117427E+02 -0.24056E-05 -0.74243E-07 488 0.508E-03
1 F= -.89400212E+02 E0= -.89406625E+02 d E =0.192401E-01