<div dir="ltr">Dear Tone, <div><br></div><div style>Part of the problem is that I don't have the W2k executables installed locally. However, the latest release (13.1) includes a python script prepare_xsf_lapw which can calculate the slices and build a *.xsf file. Since I am still using 12.1, it required me to compile auxil.f and str2xcr.f from xcrysden into an executable and place it into my path. I am under the impression that this would be done automatically with version 13.1. In any case, it works quite well.</div>
<div style><br></div><div style>Thanks, </div><div style><br></div><div style>Oliver</div></div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Aug 7, 2013 at 9:04 AM, Tone Kokalj <span dir="ltr"><<a href="mailto:tone.kokalj@ijs.si" target="_blank">tone.kokalj@ijs.si</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex"><div class="HOEnZb"><div class="h5">On Fri, 2013-08-02 at 11:52 -0700, Oliver Albertini wrote:<br>
> Dear Tone,<br>
><br>
><br>
> Thanks for your response and for creating an awesome program.<br>
><br>
><br>
> The AIX server in question is not a 'super' computer, it is a single<br>
> node with 16 processors which I use to run WIEN2k. I use it remotely.<br>
><br>
><br>
> I do have xcrysden installed locally and have been using it quite a<br>
> bit to create 2d density plots. I run lapw5 on the server and scp the<br>
> *.rho, *.struct and *.output5 files to my local computer. However, now<br>
> I need to make 3d plots, and from what I can tell, xcrysden runs 'x<br>
> lapw5' for a number of 'slices', then puts them together to make the<br>
> 3d plot.<br>
><br>
><br>
> So what do I need to "calculate and render density" locally? Do I need<br>
> to have lapw5 locally?<br>
<br>
</div></div>If you have the Wien2K installed locally, try to cd via the NFS to the<br>
pertinent directory on your AIX machine and start xcrysden therein ...<br>
<br>
Regards,<br>
<span class="HOEnZb"><font color="#888888">--<br>
Anton Kokalj<br>
J. Stefan Institute, Jamova 39, 1000 Ljubljana, Slovenia<br>
(tel: +386-1-477-3523 // fax:+386-1-477-3822)<br>
<br>
Please, if possible, avoid sending me Word or PowerPoint attachments.<br>
See: <a href="http://www.gnu.org/philosophy/no-word-attachments.html" target="_blank">http://www.gnu.org/philosophy/no-word-attachments.html</a><br>
<br>
</font></span></blockquote></div><br></div>