iterations/neb0_image08_iter165_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 0.373667548499E+03 0.37367E+03 -0.14277E+04 624 0.799E+02
DAV: 2 0.369790076850E+01 -0.36997E+03 -0.35785E+03 863 0.196E+02
DAV: 3 -0.966421056640E+02 -0.10034E+03 -0.10003E+03 669 0.117E+02
DAV: 4 -0.101219121924E+03 -0.45770E+01 -0.45633E+01 712 0.285E+01
DAV: 5 -0.101309617735E+03 -0.90496E-01 -0.90439E-01 712 0.362E+00 0.227E+01
DAV: 6 -0.926418638217E+02 0.86678E+01 -0.31032E+01 720 0.301E+01 0.119E+01
DAV: 7 -0.917836012254E+02 0.85826E+00 -0.17339E+00 712 0.616E+00 0.479E+00
DAV: 8 -0.914097724345E+02 0.37383E+00 -0.53994E-01 720 0.394E+00 0.163E+00
DAV: 9 -0.913284411211E+02 0.81331E-01 -0.13033E-01 720 0.154E+00 0.421E-01
DAV: 10 -0.913202001051E+02 0.82410E-02 -0.43127E-02 760 0.108E+00 0.295E-01
DAV: 11 -0.913249111804E+02 -0.47111E-02 -0.12415E-02 608 0.581E-01 0.142E-01
DAV: 12 -0.913278300645E+02 -0.29189E-02 -0.26381E-03 633 0.249E-01 0.991E-02
DAV: 13 -0.913312099667E+02 -0.33799E-02 -0.13973E-03 634 0.189E-01 0.458E-02
DAV: 14 -0.913347621855E+02 -0.35522E-02 -0.95187E-04 725 0.213E-01 0.432E-02
DAV: 15 -0.913357003153E+02 -0.93813E-03 -0.26349E-04 688 0.107E-01 0.341E-02
DAV: 16 -0.913367574633E+02 -0.10571E-02 -0.24515E-04 674 0.890E-02 0.143E-02
DAV: 17 -0.913375410737E+02 -0.78361E-03 -0.84493E-05 664 0.446E-02 0.140E-02
DAV: 18 -0.913378292207E+02 -0.28815E-03 -0.38477E-05 592 0.311E-02 0.950E-03
DAV: 19 -0.913379279562E+02 -0.98735E-04 -0.30657E-05 616 0.302E-02 0.736E-03
DAV: 20 -0.913379473587E+02 -0.19403E-04 -0.35263E-06 512 0.151E-02 0.417E-03
DAV: 21 -0.913379632785E+02 -0.15920E-04 -0.62487E-06 407 0.141E-02 0.161E-03
DAV: 22 -0.913379712668E+02 -0.79883E-05 -0.15045E-06 448 0.568E-03
1 F= -.91337971E+02 E0= -.91343433E+02 d E =0.163859E-01