[Wien] FSGEN

[Peter Blaha]

NX and NY are of course coming from your k-mesh. You cannot chose it freely.
These are the number of points in x and y direction.

The length of the "rectangle" also depends on your symmetry and the selected
plane. In some cases one can read the length from spaghetti, otherwise
you have to "think".

Eg. in a cubic crystal and the 100 plane, x and y length is identical,
for 110 planes theres a factor 2 in between,....
For noncubic systems it scales with 2pi/a, 2pi/b,... times the length of
the x and y direction of the selected plane.

?? schrieb:
> Dear Prof. Blaha,
> 
>   When I was going to edit case.spaghetti_ene, I didn't know where to 
> find x-len in the case.spaghetti_ene.However, the user's guide said I 
> could find that.
>   I'm also wondering that how to determine the NX and NY. I can choose 
> it freelly,is that right?
> 
> 
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-- 

                                       P.Blaha
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Peter BLAHA, Inst.f. Materials Chemistry, TU Vienna, A-1060 Vienna
Phone: +43-1-58801-15671             FAX: +43-1-58801-15698
Email: blaha at theochem.tuwien.ac.at    WWW: http://info.tuwien.ac.at/theochem/
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