[Wien] wien2wannier interface

wasim raja Mondal wasimr.mondal at gmail.com
Mon Mar 9 18:54:26 CET 2015


Hi,
     In wein2k_14 version, wannier90 also compiled with wien2k?
At the stage of wanner90.x -pp
        I am getting this error
/home/wien2k_14_installation/wannier90: line 156: wannier90.x: command not
found
0.0u 0.0s 0:00.00 0.0% 0+0k 0+0io 0pf+0w

I have to separately download and install wannier90 and add the path in
bashrc?


On Mon, Mar 9, 2015 at 9:22 PM, wasim raja Mondal <wasimr.mondal at gmail.com>
wrote:

> 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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>
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