[Wien] case.inop output issue
Pavel Ondračka
pavel.ondracka at email.cz
Mon Nov 21 12:37:06 CET 2016
Dr. K. C. Bhamu píše v Po 21. 11. 2016 v 01:07 +0530:
> Dear Users,
>
> I am running an orthorhombic case (a, b and c are different)
>
> I used the following case.inop
> 99999 1 number of k-points, first k-point
> -5.0 3.0 9999 Emin, Emax for matrix elements, NBvalMAX
> 3 number of choices (columns in *outmat): 2: hex or
> tetrag. case
> 1 Re xx
> 2 Re yy
> 3 Re zz
> OFF ON/OFF writes MME to unit 4
>
> Choices:
> 1......Re <x><x>
> 2......Re <y><y>
> 3......Re <z><z>
> 4......Re <x><y>
> 5......Re <x><z>
> 6......Re <y><z>
> 7......Im <x><y>
> 8......Im <x><z>
> 9......Im <y><z>
>
>
>
> But in the output of case.inop (in other also) I am getting only four
> columns two for xx and two for yy components (Re and Img).
>
> # Energy [eV] Re_eps_xx Im_eps_xx Re_eps_yy Im_eps_yy
>
> What is wrong here??
>
Check the number of columns in the case.injoint
More information about the Wien
mailing list