[Wien] 3D Frourier transform of the step functions

Peter Blaha pblaha at theochem.tuwien.ac.at
Mon Jun 30 13:01:22 CEST 2008


It's in SRC_lapw0, the reanXX subroutines.

fatemeh.mirjani schrieb:
> Dear Prof. Blaha;
> 
> Would you please guide me that can I find  a subroutine for 3D Frourier transform of the step functions in the source of Wien2k?
> If yes, Where?
>  
> I'm anxiously looking forward your reply.
> With my best regards,
> Fatemeh
> 

-- 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
Getreidemarkt 9, A-1060 Vienna, Austria
Tel: +43-1-5880115671
Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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