[Pw_forum] pw2wannier fails to deal with USP

soroush pakseresht spakinform at gmail.com
Thu Dec 2 18:13:35 CET 2010


Dear Lorenzo,

Thanks for your quick response. I guess QE includes (supports!) some other
wannier-related utilities like pmw.x and wannier_ham.x, which I haven't had
any experience working with. I was wondering if they could be used to
generate model hamiltonian from a noncollinear-USPP calculation. Any idea?

Ciao,




On Thu, Dec 2, 2010 at 10:25 PM, Lorenzo Paulatto <
lorenzo.paulatto at impmc.upmc.fr> wrote:

> In data 02 dicembre 2010 alle ore 14:22:38, soroush pakseresht
> <spakinform at gmail.com> ha scritto:
> > Does anybody have any workaround to fix this issue?
>
> Dear Soroush,
> if something is not implemented there is not much we can do to help:
> either you give up NCLS or USPP, or implement it yourself. You may also
> try to contact the developers to see if what you need is on the way.
>
> cheers
>
> > Soroush Pakseresht
> > Advanced Science Institute (RIKEN)
> > 2-1 Hirosawa, Wako
> > Saitama-Japan
>
>
> --
> Lorenzo Paulatto
> post-doc @ IMPMC/UPMC - Université Paris 6
> phone: +33 (0)1 44 27 74 89
> www:   http://www-int.impmc.upmc.fr/~paulatto/
>
> previously (take note of the change!):
> phd student @ SISSA  &  DEMOCRITOS (Trieste)
> phone: +39 040 3787 511
> www:   http://people.sissa.it/~paulatto/
> _______________________________________________
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>



-- 
Soroush Pakseresht
Advanced Science Institute (RIKEN)
Saitama-Japan
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