iterations/neb0_image07_iter245_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 0.372140479684E+03 0.37214E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.390895591680E+01 -0.36823E+03 -0.35640E+03 866 0.194E+02
DAV: 3 -0.965896417594E+02 -0.10050E+03 -0.10016E+03 685 0.116E+02
DAV: 4 -0.101189164273E+03 -0.45995E+01 -0.45881E+01 688 0.284E+01
DAV: 5 -0.101280384509E+03 -0.91220E-01 -0.91164E-01 736 0.361E+00 0.228E+01
DAV: 6 -0.926122555841E+02 0.86681E+01 -0.30771E+01 725 0.300E+01 0.119E+01
DAV: 7 -0.917468999376E+02 0.86536E+00 -0.17376E+00 728 0.619E+00 0.480E+00
DAV: 8 -0.913711567815E+02 0.37574E+00 -0.54097E-01 736 0.396E+00 0.162E+00
DAV: 9 -0.912893215708E+02 0.81835E-01 -0.13097E-01 720 0.155E+00 0.421E-01
DAV: 10 -0.912802189616E+02 0.91026E-02 -0.40857E-02 749 0.104E+00 0.290E-01
DAV: 11 -0.912847049331E+02 -0.44860E-02 -0.12646E-02 608 0.587E-01 0.151E-01
DAV: 12 -0.912876696985E+02 -0.29648E-02 -0.27255E-03 615 0.264E-01 0.864E-02
DAV: 13 -0.912914145884E+02 -0.37449E-02 -0.15297E-03 642 0.187E-01 0.524E-02
DAV: 14 -0.912945670050E+02 -0.31524E-02 -0.93550E-04 741 0.230E-01 0.488E-02
DAV: 15 -0.912962017840E+02 -0.16348E-02 -0.42480E-04 648 0.113E-01 0.376E-02
DAV: 16 -0.912970189383E+02 -0.81715E-03 -0.17441E-04 768 0.823E-02 0.144E-02
DAV: 17 -0.912979406040E+02 -0.92167E-03 -0.18114E-04 709 0.733E-02 0.192E-02
DAV: 18 -0.912981540596E+02 -0.21346E-03 -0.25388E-05 560 0.343E-02 0.103E-02
DAV: 19 -0.912982801001E+02 -0.12604E-03 -0.33977E-05 626 0.293E-02 0.348E-03
DAV: 20 -0.912983135417E+02 -0.33442E-04 -0.21932E-06 504 0.831E-03 0.247E-03
DAV: 21 -0.912983316607E+02 -0.18119E-04 -0.15382E-06 429 0.480E-03 0.169E-03
DAV: 22 -0.912983408731E+02 -0.92125E-05 -0.97574E-07 453 0.428E-03
1 F= -.91298341E+02 E0= -.91303912E+02 d E =0.167147E-01