./iterations/neb0_image07_iter167_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 0.370953969396E+03 0.37095E+03 -0.14318E+04 632 0.799E+02
DAV: 2 0.322196488491E+01 -0.36773E+03 -0.35506E+03 869 0.194E+02
DAV: 3 -0.962433838456E+02 -0.99465E+02 -0.99147E+02 664 0.116E+02
DAV: 4 -0.101006800716E+03 -0.47634E+01 -0.47515E+01 688 0.291E+01
DAV: 5 -0.101106376229E+03 -0.99576E-01 -0.99503E-01 736 0.376E+00 0.226E+01
DAV: 6 -0.925422014750E+02 0.85642E+01 -0.30466E+01 733 0.299E+01 0.118E+01
DAV: 7 -0.916964162265E+02 0.84579E+00 -0.17248E+00 720 0.615E+00 0.478E+00
DAV: 8 -0.913272542005E+02 0.36916E+00 -0.52206E-01 728 0.392E+00 0.164E+00
DAV: 9 -0.912456877018E+02 0.81566E-01 -0.13176E-01 728 0.159E+00 0.421E-01
DAV: 10 -0.912373110115E+02 0.83767E-02 -0.41410E-02 773 0.109E+00 0.292E-01
DAV: 11 -0.912414493200E+02 -0.41383E-02 -0.11212E-02 608 0.562E-01 0.134E-01
DAV: 12 -0.912442830300E+02 -0.28337E-02 -0.26204E-03 642 0.272E-01 0.898E-02
DAV: 13 -0.912480179529E+02 -0.37349E-02 -0.11045E-03 642 0.167E-01 0.556E-02
DAV: 14 -0.912508143450E+02 -0.27964E-02 -0.55602E-04 808 0.164E-01 0.320E-02
DAV: 15 -0.912525956899E+02 -0.17813E-02 -0.25132E-04 669 0.970E-02 0.328E-02
DAV: 16 -0.912539621061E+02 -0.13664E-02 -0.17197E-04 669 0.603E-02 0.116E-02
DAV: 17 -0.912545655464E+02 -0.60344E-03 -0.71479E-05 688 0.404E-02 0.116E-02
DAV: 18 -0.912548921425E+02 -0.32660E-03 -0.40863E-05 583 0.285E-02 0.380E-03
DAV: 19 -0.912549522824E+02 -0.60140E-04 -0.43719E-06 464 0.983E-03 0.160E-03
DAV: 20 -0.912549912748E+02 -0.38992E-04 -0.54149E-06 405 0.960E-03 0.153E-03
DAV: 21 -0.912549958400E+02 -0.45652E-05 -0.89366E-07 496 0.449E-03
1 F= -.91254996E+02 E0= -.91260729E+02 d E =0.172006E-01