Dear Paolo, Thank you for the quick help. <br><br>Dear Ari, Thank you for the guidelines and the references for reading, its really helpful of you. I was confused about whether I would have to separately make it or so. SO Thank You! I made it now and tried to run the example which did not run yet, it seems to be a format problem which I should be able to take care hopefully. If you would have a look at the error, it is like this :<br>
<br>running xspectra.x ...At line 2089 of file xspectra.f90 (unit = 33, file = 'C.wfc')<br>Fortran runtime error: End of file<br>Error condition encountered during test: exit status = 2<br>Aborting<br><br>If you have any quick guidelines I would really appreciate it else I would try to work on it by myself.<br>
<br>Thank you so much,<br><br>Harli<br><br><div class="gmail_quote">On Mon, Nov 15, 2010 at 2:16 PM, Ari P Seitsonen <span dir="ltr"><<a href="mailto:Ari.P.Seitsonen@iki.fi">Ari.P.Seitsonen@iki.fi</a>></span> wrote:<br>
<blockquote class="gmail_quote" style="margin: 0pt 0pt 0pt 0.8ex; border-left: 1px solid rgb(204, 204, 204); padding-left: 1ex;"><br>
Dear Harli,<br>
<br>
Did you execute 'make xspectra' in the directory of the source code?<br>
XSpectra is not created with 'make all', for example. After the<br>
compilation you might want to study carefully the 'run_example' and read<br>
some of the papers from Christos Gougoussis and Matteo Calandra on their<br>
applications of the code; those will also lead you to more references<br>
on the theory behind the code from the institute in Paris where they<br>
work/worked.<br>
<br>
Greetings from Zurich,<br>
<br>
apsi<br>
<br>
-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-=*=-<br>
<font color="#888888"> Ari P Seitsonen / <a href="mailto:Ari.P.Seitsonen@iki.fi">Ari.P.Seitsonen@iki.fi</a> / <a href="http://www.iki.fi/%7Eapsi/" target="_blank">http://www.iki.fi/~apsi/</a><br>
Physikalisch-Chemisches Institut der Universitaet Zuerich<br>
Tel: +41 44 63 54 497 / Mobile: +41 79 71 90 935<br>
</font><div><div></div><div class="h5"><br>
<br>
On Mon, 15 Nov 2010, Suman Dhayal wrote:<br>
<br>
> hi,<br>
><br>
> Can anyone give some guidelines over how to do the XSpectra calculations<br>
> please? I don't see any README file in the example XSPectra/ too. So I tried<br>
> to just run it using ./run_example in the XSPectra/ but it doesn't find the<br>
> xspectra.x file in the bin/ as it is not there. So please-please a little<br>
> help in this.<br>
><br>
> Thanks,<br>
><br>
> Harli<br>
><br>
><br>
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