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Dear Sherif Yehia,<br>
<br>
Here is attached a small part of the user guide concerning IRREP:<br>
<br>
This program determines the irreducible representation for each
eigenvalue and all your k-points. It is in particular usefull to
analyse energy bands and their connectivity.<br>
You need a valid vector file, but no other input is required. The
output can be found in case.outputir and case.irrep. For nonmagnetic SO
calculations you must set IPR=1 in case.inso.<br>
The output of this program is needed when you want to draw
bandstructures with connected lines (instead of ``dots'').<br>
<b>It will not work in cases of non-symmorphic spacegroups AND k-points
at the surface of the BZ. See also $WIENROOT/SRC_irrep/README.</b><br>
<br>
Are in this situation? If yes, you should not execute "x irrep" and you
must continue your calculation by "x lapw2 -qtl -band" (if you want to
project information from the atomic spheres) and then "x spaghetti".<br>
<br>
Best Regards<br>
<br>
Xavier<br>
<br>
<br>
Sherif Yehia a écrit :
<blockquote
cite="mid20070326090313.44655.qmail@web52212.mail.re2.yahoo.com"
type="cite">
<pre wrap="">Dear Wien user
I am trying to plot band structure for Rare-earth
transition metal (spin polarized case)
SCF went with no problem then ran from interface
x lapw1 -band -up
x lapw1 -band -dn
To get band character
x irrep -up
I am having this error
1- no output in Case.irrep
rmprop: cannot find Rj*Ri*inv(Rj)
0.000u 0.000s 0:00.00 0.0% 0+0k 0+0io 237pf+0w
I would appreciate your advice
Thank you
Sherif Yehia
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</pre>
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