<div dir="ltr"><div><div><div><div>Dear Ellias,<br></div> Thanks. yes that issue is solved. I am facing problem which is described below<br><br><br></div> My case is subdir_final.<br></div> I am able to produce the following <br><br> <b>write_wplotdef subdir_final</b><br><br> <b>write_wplotin subdir_final<br></b><br> <b>prepare_plots.sh subdir_final</b><br><br> I have got the following files: <br> subdir_final_1.psiarg <br> subdir_final_1.psink <br> subdir_final_2.psiarg <br> subdir_final_2.psink <br> subdir_final_3.psiarg <br> subdir_final_3.psink <br><br> <b> xsfAll.sh subdir_final</b><br></div> I have got the following files:<br><div> subdir_final_1.xsf.gz<br> subdir_final_2.xsf.gz<br> subdir_final_3.xsf.gz<br><br></div><div> When I open these file in xcrysden, I am not finding anything.<br></div><div> I gunzip one file <br><br> <b> gunzip subdir_final_1.xsf.gz</b><br></div><div> Inside this file it is showing <br></div><div> <br> [E] Could not find file subdir_final_final.psink<br><br><br><br><br><br></div><div>version1:<br></div><div> To transform xsf file I use the command<br> <br> <b> wplot2xsf subdir_final</b><br><br></div> I am getting following error message<br><br> Traceback (most recent call last):<br> File "/home/wasim/wien2k_14_<div>installation/wplot2xsf", line 112, in <module><br> args = parser.parse_args()<br> File "/usr/lib/python2.7/argparse.py", line 1688, in parse_args<br> args, argv = self.parse_known_args(args, namespace)<br> File "/usr/lib/python2.7/argparse.py", line 1720, in parse_known_args<br> namespace, args = self._parse_known_args(args, namespace)<br> File "/usr/lib/python2.7/argparse.py", line 1929, in _parse_known_args<br> stop_index = consume_positionals(start_index)<br> File "/usr/lib/python2.7/argparse.py", line 1885, in consume_positionals<br> take_action(action, args)<br> File "/usr/lib/python2.7/argparse.py", line 1778, in take_action<br> argument_values = self._get_values(action, argument_strings)<br> File "/usr/lib/python2.7/argparse.py", line 2218, in _get_values<br> value = [self._get_value(action, v) for v in arg_strings]<br> File "/usr/lib/python2.7/argparse.py", line 2233, in _get_value<br> result = type_func(arg_string)<br> File "/home/wasim/wien2k_14_installation/wplot2xsf", line 58, in int_or_file<br> else: return open(x)<br>IOError: [Errno 2] No such file or directory: 'subdir_final'<br></div></div><div class="gmail_extra"><br><div class="gmail_quote">On Tue, Mar 10, 2015 at 1:44 PM, Elias Assmann <span dir="ltr"><<a href="mailto:elias.assmann@gmail.com" target="_blank">elias.assmann@gmail.com</a>></span> wrote:<br><blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">On 03/09/2015 04:52 PM, wasim raja Mondal wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Hi Ellias,<br>
Thanks. In 1.0 version when I am using write_inwf , it<br>
tells to give<br>
next proj. (3 to go; Ctrl-D if done)? V 2<br>
didn't catch that: SITE and ORB must be given<br>
</blockquote>
<br></span>
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.<br>
<br>
<br>
Elias<br>
<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><span class="">
<br>
what I have to give for SrVO3?<br>
<br>
Regards<br>
wasim<br>
<br>
On Mon, Mar 9, 2015 at 8:06 PM, Elias Assmann <<a href="mailto:elias.assmann@gmail.com" target="_blank">elias.assmann@gmail.com</a><br></span><div><div class="h5">
<mailto:<a href="mailto:elias.assmann@gmail.com" target="_blank">elias.assmann@gmail.<u></u>com</a>>> wrote:<br>
<br>
Hi Wasim,<br>
<br>
Of course it is possible to produce plots (in psink+psiarg but also<br>
xsf format) using pre-1.0 wien2wannier (the last version was 0.97).<br>
If the problem is really the conversion to xsf, you should also be<br>
able to use the wplot2xsf script from the new wien2wannier version<br>
to do this conversion, regardless of where your psink/psiarg files<br>
came from. (That script is one of the things that changed a lot)<br>
<br>
However, I would recommend upgrading to Wien2k 14.2. This is of<br>
course the standard advice, but I think it applies especially to<br>
wien2wannier since so much has changed from 0.x to 1.0, and it is<br>
probably more trouble than it would ever be worth to “backport”<br>
wien2wannier 1.0 to Wien2k 13.<br>
<br>
Elias<br>
<br>
<br>
<br>
On 03/09/2015 02:27 PM, wasim raja Mondal wrote:<br>
<br>
Dear Ellias,<br>
I was using wien2k version 13 and<br>
wien2wannier version<br>
0.96. With this version of wienwannier interface I am not able<br>
to plot<br>
wannier function. I am using SrVO3 example. I able to create case<br>
m.psiarg and case.psink but not creat XSF file to visualize in<br>
xcrsden.<br>
So my question is following<br>
<br>
<br>
1. Is this bugs with version 0.96 of wien2wannier interface?<br>
<br>
2. I have to install new veriosn (1.0)? If yes, then I have to<br>
install<br>
wienk_14? With wien2k_14 , wien2k_wannier interface will be<br>
automatically install? Wannier90 also? or I have to install<br>
separately<br>
install wannier90?<br>
<br>
<br>
3. Is it possible to install this interface with wanneir13?<br>
<br>
<br>
Regards<br>
wasim<br>
<br>
<br></div></div><span class="">
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