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<DIV><FONT face=Arial size=2>Your RMT*Kmax looks too small and number of k
points is too many for a supercell (normally 1-2 would do).</FONT></DIV>
<DIV><FONT face=Arial size=2>Hope this helps.</FONT></DIV>
<DIV><FONT face=Arial size=2>Chandrika</FONT></DIV>
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style="PADDING-RIGHT: 0px; PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #000000 2px solid; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=tom.zaya@gmail.com href="mailto:tom.zaya@gmail.com">tomi zaya</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">wien@zeus.theochem.tuwien.ac.at</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Thursday, April 26, 2007 2:56
PM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Wien] lapw1 -c</DIV>
<DIV><BR></DIV>
<DIV>Dear users,</DIV>
<DIV>in the first SCF cycle an error occurre more and more,please help me
to fix this error:</DIV>
<DIV>error: command /usr/Wien/lapw1c lapw1.def failed</DIV>
<DIV>> stop error</DIV>
<DIV> i'm using supercell approximation with 80 atoms.</DIV>
<DIV>Rmt*Kmax=3.5</DIV>
<DIV>number of k points=100</DIV>
<DIV> </DIV>
<DIV>best regards.</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV> </DIV>
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