iterations/neb0_image08_iter10_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 0.368845452877E+03 0.36885E+03 -0.14255E+04 624 0.799E+02
DAV: 2 0.229999320314E+01 -0.36655E+03 -0.35431E+03 877 0.195E+02
DAV: 3 -0.961407349244E+02 -0.98441E+02 -0.98095E+02 688 0.115E+02
DAV: 4 -0.100454247597E+03 -0.43135E+01 -0.43006E+01 704 0.272E+01
DAV: 5 -0.100541461841E+03 -0.87214E-01 -0.87165E-01 744 0.346E+00 0.222E+01
DAV: 6 -0.919432935259E+02 0.85982E+01 -0.30796E+01 728 0.300E+01 0.116E+01
DAV: 7 -0.910953280823E+02 0.84797E+00 -0.17353E+00 696 0.645E+00 0.477E+00
DAV: 8 -0.907222220701E+02 0.37311E+00 -0.61580E-01 712 0.421E+00 0.165E+00
DAV: 9 -0.906414044075E+02 0.80818E-01 -0.12777E-01 709 0.164E+00 0.460E-01
DAV: 10 -0.906325452765E+02 0.88591E-02 -0.27102E-02 736 0.785E-01 0.266E-01
DAV: 11 -0.906368599434E+02 -0.43147E-02 -0.11706E-02 602 0.625E-01 0.177E-01
DAV: 12 -0.906380741519E+02 -0.12142E-02 -0.31024E-03 704 0.367E-01 0.947E-02
DAV: 13 -0.906427576717E+02 -0.46835E-02 -0.35088E-03 630 0.352E-01 0.921E-02
DAV: 14 -0.906443906938E+02 -0.16330E-02 -0.77214E-04 800 0.196E-01 0.460E-02
DAV: 15 -0.906470823273E+02 -0.26916E-02 -0.10845E-03 682 0.204E-01 0.481E-02
DAV: 16 -0.906485014070E+02 -0.14191E-02 -0.27286E-04 805 0.127E-01 0.215E-02
DAV: 17 -0.906493017405E+02 -0.80033E-03 -0.13640E-04 669 0.592E-02 0.806E-03
DAV: 18 -0.906498962792E+02 -0.59454E-03 -0.51324E-05 597 0.277E-02 0.788E-03
DAV: 19 -0.906500859693E+02 -0.18969E-03 -0.13396E-05 501 0.200E-02 0.381E-03
DAV: 20 -0.906501540345E+02 -0.68065E-04 -0.10788E-05 450 0.138E-02 0.226E-03
DAV: 21 -0.906501795026E+02 -0.25468E-04 -0.28623E-06 471 0.970E-03 0.652E-04
DAV: 22 -0.906501880261E+02 -0.85235E-05 -0.18832E-06 438 0.582E-03
1 F= -.90650188E+02 E0= -.90654134E+02 d E =0.118373E-01