On 03/09/2015 04:52 PM, wasim raja Mondal 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
This is a question that the ‘-h’ switch of write_inwf (or the
wien2wanner user's guide) should really answer. Please look at that
again, and if it does not become clear, get back to me and tell me what
you intend “V 2” to mean.
Elias
what I have to give for SrVO3?
Regards
wasim
On Mon, Mar 9, 2015 at 8:06 PM, Elias Assmann <elias.assm...@gmail.com
<mailto:elias.assm...@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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