[Wien] fictitious planewave construction for local orbits

Peter Blaha pblaha at theochem.tuwien.ac.at
Sat Jul 11 08:08:18 CEST 2009


Look into the original LO publication of D.Singh, or into his book about 
LAPW.

phlhj phlhj schrieb:
> Dear all,
>  
> In wien2k /SRC_lapw1 the file lopw.f generates the LAPW (K+G)-vector for 
> local orbitals,
> Could anyone give me some detailed reference for fictitious planewave 
> construction for  local orbits?
> Actually local orbits do not need to couple any planewave outside the MT 
> sphere.
>  
> Thanks very much.
>  
> Best,
> Wenmei Ming
> 
> 
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Peter Blaha
Inst. Materials Chemistry, TU Vienna
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email: pblaha at theochem.tuwien.ac.at
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