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<div class="moz-cite-prefix">I don't remember seeing that error
before with BiFeO3. Are you using an old WIEN2k version? If so,
upgrade to the latest version. Are you sure you entered the
structure parameters into StructGen correctly? The common problem
in the past seemed to be that users would enter the structure
parameters for it in the wrong setting for the R spacegroup
lattice [
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10677.html">http://www.mail-archive.com/wien%40zeus.theochem.tuwien.ac.at/msg10677.html</a>
,
<a class="moz-txt-link-freetext" href="http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10690.html">http://www.mail-archive.com/wien@zeus.theochem.tuwien.ac.at/msg10690.html</a>
].<br>
<br>
On 3/5/2016 11:42 AM, Qasim Mahmood wrote:<br>
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<div>Respected wien2k users i am trying to run the
calculations of BiFeO3, during initialization core
leakage error occur , I try to do even with energy
-9.0 instead of -6.0 but fail......then i also try by
verying RMT but then overlaping error ...please help
me who i can overcome this error..........<br>
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<div>Regards<b><i><span style="color:rgb(0,0,255)"><br>
<br>
Mr.Qasim Mahmood<br>
</span></i></b></div>
<b><i><span style="color:rgb(0,0,255)">Ph.D Schollar,
PU,Lahore,Pakistan</span></i></b><br>
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