[Wien] wien2wannier interface
Elias Assmann
elias.assmann at gmail.com
Mon Mar 9 15:36:30 CET 2015
Hi Wasim,
Of course it is possible to produce plots (in psink+psiarg but also xsf
format) using pre-1.0 wien2wannier (the last version was 0.97). If the
problem is really the conversion to xsf, you should also be able to use
the wplot2xsf script from the new wien2wannier version to do this
conversion, regardless of where your psink/psiarg files came from.
(That script is one of the things that changed a lot)
However, I would recommend upgrading to Wien2k 14.2. This is of course
the standard advice, but I think it applies especially to wien2wannier
since so much has changed from 0.x to 1.0, and it is probably more
trouble than it would ever be worth to “backport” wien2wannier 1.0 to
Wien2k 13.
Elias
On 03/09/2015 02:27 PM, wasim raja Mondal wrote:
> Dear Ellias,
> I was using wien2k version 13 and wien2wannier version
> 0.96. With this version of wienwannier interface I am not able to plot
> wannier function. I am using SrVO3 example. I able to create case
> m.psiarg and case.psink but not creat XSF file to visualize in xcrsden.
> So my question is following
>
>
> 1. Is this bugs with version 0.96 of wien2wannier interface?
>
> 2. I have to install new veriosn (1.0)? If yes, then I have to install
> wienk_14? With wien2k_14 , wien2k_wannier interface will be
> automatically install? Wannier90 also? or I have to install separately
> install wannier90?
>
>
> 3. Is it possible to install this interface with wanneir13?
>
>
> Regards
> wasim
>
>
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