<div dir="ltr"><div><div>Respected Sir,<br>
<br>
</div> I have not use the init_w2w. I have done this manually by executing the command one by one.<br>
</div>Thanking You</div><div class="gmail_extra"><br><br><div class="gmail_quote">On Wed, Sep 4, 2013 at 11:34 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"><div class="im">On 09/03/2013 02:28 PM, Swetarekha Ram wrote:<br>
<blockquote class="gmail_quote" style="margin:0 0 0 .8ex;border-left:1px #ccc solid;padding-left:1ex">
Then I used x kgen -so and took the 8*8*8 mesh and got total 512 points<br>
in the irriducible Brillouin zone.<br>
<br>
Then I ran x lapw1<br>
find_bands case -2 1<br>
write_w2win case and then<br>
write_win<br>
In this point I got the error massage as before<br>
</blockquote>
<br></div>
Did you execute these commands manually (rather than through init_w2w)?<br>
<br>
write_win expects to find a file "case.outputkgen_orig" (from which it reads symmetry operations). init_w2w will create this as a copy "case.outputkgen".<span class="HOEnZb"><font color="#888888"><br>
<br>
Elias</font></span><div class="HOEnZb"><div class="h5"><br>
<br>
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</div></div></blockquote></div><br><br clear="all"><br>-- <br>Swetarekha Ram,<br>Research Scholar,<br>Dept. of Physics,<br>IIT Hyderabad.<br><br>
</div>