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<div class="moz-cite-prefix">There is makestruct (refer to section
"5.1.2 Create the master input file case.struct (makestruct lapw)"
in the WIEN2k 14.2 usersguide [
<a class="moz-txt-link-freetext" href="http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf">http://susi.theochem.tuwien.ac.at/reg_user/textbooks/usersguide.pdf</a>
]) and structeditor (refer to section "9.26 structeditor" in the
usersguide).<br>
<br>
There are probably many cif programs out there. For example,
Bilbao Crystallographic Server has STRCONVERT [
<a class="moz-txt-link-freetext" href="http://www.cryst.ehu.es/cryst/strconvert.html">http://www.cryst.ehu.es/cryst/strconvert.html</a> ]. You could likely
create a cif file with such a program, then use cif2struct (refer
to section "9.18 cif2struct" in the usersguide).<br>
<br>
On 12/6/2016 6:27 PM, delamora wrote:<br>
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Dear WIEN2k community,
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I have the atomic positions of the atoms in a large cell,
how can I make the struct file, is there a program other
than "Struct Gen"<br>
<br>
<p><span>Cheers<br>
</span></p>
<p><span><br>
</span></p>
<p><span> Pablo de la Mora</span><br>
</p>
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