[Wannier] Wannier90 2.1.0 released

[Giovanni Cantele]

Hi,

as far as the implementation of non-collinear spin with US pseudo is concerned, is the
pwscf/v6.0/pw2wannier90.f90 included within the new wannier90 2.1.0 the correct interface I should use?

The issue is that therein I still find the line
   IF(any_uspp .and. noncolin) CALL errore('pw2wannier90',&
       'NCLS calculation not implimented with USP',1)
even though by browsing pwscf/v6.0/pw2wannier90.f90 it seems that actually noncolin + uspp is implemented.
I would like just to be sure that if I comment those two lines in pwscf/v6.0/pw2wannier90.f90 I get
the correct file I should use.

Thanks,

    Giovanni


> On 14 Jan 2017, at 00:03, Jonathan Yates <jonathan.yates at materials.ox.ac.uk> wrote:
> 
> Dear All,
> 
> A new version of Wannier90 (v2.1.0) is now available.
> As usual you can download it from http://www.wannier.org
> 
> This release has contributions from many people, and the list of new features and their authors can be found in the  changelog for v.2.1.0 
> see  http://www.wannier.org/doc/CHANGE.log
> 
> To highlight a few new features:
>  * Implementation of the symmetry-adapted Wannier functions (see R. Sakuma, Phys. Rev. B 87, 235109 (2013), courtesy
>   of R. Sakuma (Lund University, Sweden), T. Koretsune (Riken, JP),  Y. Nomura (U. Tokyo, JP), Y. Nohara (Atomic-Scale Material 
>   Simulations, Co., Ltd.), R. Arita (Riken, JP)). Note this is currently only implemented in the PWSCF interface.
> * Added the use_ws_distance flag to improve the interpolation of  band structures (courtesy of L. Paulatto, UPMC Paris).
> * Non-collinear spins with ultrasoft pseudos now implemented in the pw2wannier90 interface with Quantum ESPRESSO, working
>  also in parallel (courtesy F. Thoele (ETHZ, CH), T. Koretsune  (Riken, JP), L. Paulatto (UPMC Paris))
> 
> The inclusion of features from the wider wannier community has been facilitated by moving the development of Wannier90 to Github.
> At our GitHub page https://github.com/wannier-developers/wannier90 you will find information on contributing to Wannier90 as well as details of projects already underway. So if you have a new feature you want contribute you can fork the project, add the feature and when ready submit a pull request for inclusion in the next release of Wannier90.
> 
> The Wannier90 developers
> 
> 
> 
> 
> 
> -- 
> Department of Materials, University of Oxford, Parks Road, Oxford, OX1 3PH, UK
> tel: +44 (0)1865 612797                http://users.ox.ac.uk/~oums0549/
> 
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> 



-- 

Giovanni Cantele, PhD
CNR-SPIN
c/o Dipartimento di Fisica
Universita' di Napoli "Federico II"
Complesso Universitario M. S. Angelo - Ed. 6
Via Cintia, I-80126, Napoli, Italy
e-mail: giovanni.cantele at spin.cnr.it
Phone: +39 081 676910
Skype contact: giocan74

ResearcherID: http://www.researcherid.com/rid/A-1951-2009
Web page: http://people.na.infn.it/~cantele