./iterations/neb0_image02_iter155_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 0.364163656031E+03 0.36416E+03 -0.14332E+04 632 0.799E+02
DAV: 2 0.273571860969E+01 -0.36143E+03 -0.34855E+03 845 0.195E+02
DAV: 3 -0.955499892497E+02 -0.98286E+02 -0.97950E+02 656 0.116E+02
DAV: 4 -0.100227417825E+03 -0.46774E+01 -0.46656E+01 720 0.290E+01
DAV: 5 -0.100320041906E+03 -0.92624E-01 -0.92591E-01 752 0.366E+00 0.222E+01
DAV: 6 -0.916747215808E+02 0.86453E+01 -0.30948E+01 688 0.299E+01 0.117E+01
DAV: 7 -0.908579636163E+02 0.81676E+00 -0.18512E+00 704 0.637E+00 0.484E+00
DAV: 8 -0.904773321627E+02 0.38063E+00 -0.55536E-01 696 0.431E+00 0.170E+00
DAV: 9 -0.903901910003E+02 0.87141E-01 -0.13789E-01 704 0.167E+00 0.431E-01
DAV: 10 -0.903845294532E+02 0.56615E-02 -0.49271E-02 704 0.129E+00 0.329E-01
DAV: 11 -0.903879813681E+02 -0.34519E-02 -0.73767E-03 616 0.538E-01 0.137E-01
DAV: 12 -0.903912700207E+02 -0.32887E-02 -0.76495E-03 640 0.468E-01 0.137E-01
DAV: 13 -0.903938241759E+02 -0.25542E-02 -0.19739E-03 893 0.358E-01 0.826E-02
DAV: 14 -0.903969352350E+02 -0.31111E-02 -0.13990E-03 642 0.174E-01 0.670E-02
DAV: 15 -0.903989403183E+02 -0.20051E-02 -0.37410E-04 669 0.109E-01 0.511E-02
DAV: 16 -0.904004461821E+02 -0.15059E-02 -0.96630E-04 664 0.181E-01 0.384E-02
DAV: 17 -0.904012220104E+02 -0.77583E-03 -0.16050E-04 752 0.869E-02 0.250E-02
DAV: 18 -0.904015034008E+02 -0.28139E-03 -0.79082E-05 664 0.415E-02 0.100E-02
DAV: 19 -0.904016634685E+02 -0.16007E-03 -0.44265E-05 645 0.339E-02 0.771E-03
DAV: 20 -0.904016822977E+02 -0.18829E-04 -0.39292E-06 520 0.146E-02 0.613E-03
DAV: 21 -0.904017280409E+02 -0.45743E-04 -0.83863E-06 425 0.153E-02 0.364E-03
DAV: 22 -0.904017381853E+02 -0.10144E-04 -0.41513E-06 480 0.121E-02 0.223E-03
DAV: 23 -0.904017399204E+02 -0.17351E-05 -0.13885E-06 536 0.719E-03
1 F= -.90401740E+02 E0= -.90408038E+02 d E =0.188943E-01