[Wien] wien2wannier interface

wasim raja Mondal wasimr.mondal at gmail.com
Mon Mar 9 16:52:58 CET 2015


Hi Ellias,
              Thanks. In 1.0 version when I am using write_inwf , it tells
to give
next proj. (3 to go; Ctrl-D if done)? V 2
didn't catch that: SITE and ORB must be given

what I have to give for SrVO3?

Regards
wasim

On Mon, Mar 9, 2015 at 8:06 PM, Elias Assmann <elias.assmann at gmail.com>
wrote:

> 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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