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["Matteo Giantomassi" <Matteo.Giantomassi@uclouvain.be>]

Dear Tieyu Lu,

Could you attach the input and log file of the calculation?
There are several values in your results that look quite strange.
First of all the matrix elements of v_xc and sig_x for bands 11-12
are zero!
Also the values of some derivatives with respect to omega are suspicious.
How many bands are you using (nbands) and which version of abinit

BTW: Do you know, by change, if bands 10 and 11 are degenerate
due to space group symmetries or if it's just an accidental degeneracy?

Thanks,
Matteo Giantomassi

> Dear all:
>
> I try to calculate the quasiparticle band structure of BaTe by GW method.
> I try
> to output the eigenvalues of all the occupied and some unoccupied states.
> But
> the GW eigenvalues is disordered at some kpoints. For example:
> **************************************************************************
>   k =  0.000  -0.500   0.000
>  Band   E0 <VxcLDA>   SigX SigC(E0)      Z dSigC/dE  Sig(E)    E-E0       E
>     1 -14.248 -11.092 -17.036 6.414   5.527   0.819  -8.494   2.599 -11.649
>     2  -7.869  -8.686 -11.792 3.219   0.707  -0.415  -8.606   0.080  -7.788
>     3  -5.074  -9.601 -11.421 2.381   0.771  -0.296  -9.168   0.433  -4.641
>     4  -5.074  -9.601 -11.421 2.387   0.772  -0.296  -9.163   0.438  -4.636
>     5  -2.693  -5.567  -1.034  -3.028 0.779  -0.284  -4.395   1.172  -1.521
>     6 0.033  -7.189  -3.251  -1.571   0.830  -0.205  -5.225   1.964   1.997
>     7 0.875  -6.928  -2.767  -2.379   0.763  -0.311  -5.569   1.360   2.234
>     8 1.199  -6.064  -1.072  -2.702   0.767  -0.304  -4.308   1.756   2.955
>     9 1.246  -6.658  -1.912  -2.546   0.752  -0.329  -5.003   1.655   2.902
>    10 1.911  -7.434  -2.497  -2.356   0.767  -0.303  -5.453   1.981   3.892
>    11 1.911   0.000   0.000  -0.618   0.949  -0.054  -0.586  -0.586   1.324
>    12 2.061   0.000   0.000  -0.618   0.949  -0.054  -0.586  -0.586   1.475
>    13 2.061   0.000   0.000  -0.618   0.949  -0.054  -0.586  -0.586   1.475
>    14 3.087   0.000   0.000  -0.618   0.949  -0.054  -0.586  -0.586   2.500
>    15 3.181   0.000   0.000  -0.618   0.949  -0.054  -0.586  -0.586   2.595
>    16 4.261   0.000   0.000  -0.618   0.949  -0.054  -0.586  -0.586   3.675
> ********************************************************************************
> We can find that the 10th eigenvalue of GW is larger than 11th and 12th
> ones.
> This is right?
>
> Tieyu Lu
>