[Pw_forum] About maximally localized wannier function

Andrea Ferretti ferretti.andrea at unimore.it
Mon Aug 29 12:09:33 CEST 2005


thanks to Nicola for citing the "WanT" code
(http://wannier-transport.org) for the
calculation maximally localized wannier functions (and transport
properties within them).

>
> Another advantage is that the CP/Wannier subroutines work with ultrasoft
> pseudopotentials, although this capability is forthcoming in
> wannier-transport.org and wannier.org .
>

I would like just to add a note:
since a new release of the code is scheduled for the end of September,
those who might be interested can directly write to me (or to the other
contacts in the web site) to have a
pre-release version (part of the manual is still missing but upgraded interfacing to
Espresso, performance issues and the task of ultrasoft PP have been
included)

cheers
Andrea

-- 
Andrea Ferretti
INFM National Research Center on nanoStructures and bioSystems at Surfaces (S3)
Dipartimento di Fisica, Universita' di Modena e Reggio Emilia
Via Campi 213/A I-41100 Modena, Italy
Tel:     +39 059 2055283
Fax:     +39 059 374794
E-mail:  ferretti.andrea at unimore.it
URL:     http://www.nanoscience.unimo.it








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