iterations/neb0_image02_iter92_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 0.365029866774E+03 0.36503E+03 -0.14328E+04 632 0.799E+02
DAV: 2 0.411931436468E+01 -0.36091E+03 -0.34620E+03 834 0.194E+02
DAV: 3 -0.955018492617E+02 -0.99621E+02 -0.99288E+02 669 0.116E+02
DAV: 4 -0.100177865092E+03 -0.46760E+01 -0.46651E+01 704 0.286E+01
DAV: 5 -0.100270189410E+03 -0.92324E-01 -0.92280E-01 728 0.360E+00 0.222E+01
DAV: 6 -0.916602123410E+02 0.86100E+01 -0.30917E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908387716395E+02 0.82144E+00 -0.18330E+00 704 0.633E+00 0.483E+00
DAV: 8 -0.904522996458E+02 0.38647E+00 -0.55722E-01 696 0.427E+00 0.169E+00
DAV: 9 -0.903619720710E+02 0.90328E-01 -0.13940E-01 704 0.166E+00 0.433E-01
DAV: 10 -0.903555240875E+02 0.64480E-02 -0.47340E-02 704 0.127E+00 0.322E-01
DAV: 11 -0.903592379383E+02 -0.37139E-02 -0.73023E-03 616 0.490E-01 0.145E-01
DAV: 12 -0.903626055090E+02 -0.33676E-02 -0.70438E-03 607 0.464E-01 0.130E-01
DAV: 13 -0.903653652331E+02 -0.27597E-02 -0.14288E-03 952 0.322E-01 0.791E-02
DAV: 14 -0.903684622947E+02 -0.30971E-02 -0.13568E-03 634 0.176E-01 0.563E-02
DAV: 15 -0.903708044703E+02 -0.23422E-02 -0.40550E-04 688 0.114E-01 0.425E-02
DAV: 16 -0.903721697766E+02 -0.13653E-02 -0.60939E-04 653 0.139E-01 0.317E-02
DAV: 17 -0.903730544592E+02 -0.88468E-03 -0.16514E-04 802 0.865E-02 0.190E-02
DAV: 18 -0.903731961720E+02 -0.14171E-03 -0.37576E-05 712 0.327E-02 0.103E-02
DAV: 19 -0.903734207213E+02 -0.22455E-03 -0.38053E-05 561 0.305E-02 0.401E-03
DAV: 20 -0.903734591369E+02 -0.38416E-04 -0.31896E-06 488 0.982E-03 0.435E-03
DAV: 21 -0.903735106545E+02 -0.51518E-04 -0.67629E-06 417 0.146E-02 0.279E-03
DAV: 22 -0.903735229361E+02 -0.12282E-04 -0.40019E-06 477 0.965E-03 0.252E-03
DAV: 23 -0.903735247486E+02 -0.18126E-05 -0.96872E-07 520 0.647E-03
1 F= -.90373525E+02 E0= -.90379127E+02 d E =0.168053E-01