[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
Getreidemarkt 9, A-1060 Vienna, Austria
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Fax: +43-1-5880115698
email: pblaha at theochem.tuwien.ac.at
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