[Pw_forum] pw2wannier USPP + spin orbit project status

[Sclauzero Gabriele]

Hello,

    I do not know who (if anyone) is currently developing such feature, but for sure it is not yet in the SVN repository. The header of pw2wannier90.f90 presently reads:


! pw2wannier was written by Stefano de Gironcoli
! with later additions by
! Jonathan Yates - spinors
! Arash Mostofi - gamma point and transport things
! Timo Thonhauser, Graham Lopez, Ivo Souza
!         uHu, uIu terms for orbital magnetisation
! please send bugs and comments to
! Jonathan Yates and Arash Mostofi
!
! Known limitations:
!  spinors and orbital magnetisation term are not yet
!  implemented for ultrasoft pseudopotentials or PAW
!


Someone among the wannier90 developers (www.wannier.org<http://www.wannier.org>) might be working on that.


GS



Il giorno 29/ago/2014, alle ore 23:24, Samuel Huberman <schuberm at mit.edu<mailto:schuberm at mit.edu>> ha scritto:

Hello,

I'm curious if there has been any progress towards using pw2wannier with USPP and spin orbit. The last message seems to be from 2010 : http://qe-forge.org/pipermail/pw_forum/2010-December/093294.html. I'm not sure who exactly to contact about the status of pw2wannier.

Thanks,

--
Samuel Huberman
Phd Candidate
MIT
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Dr. Gabriele Sclauzero
Materials Theory - ETHZ
ETH Zurich, HIT G 43.2
Wolfgang-Pauli-Str. 27
8093 Zürich, Switzerland

Phone +41 44 633 94 10
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