[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


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