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<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>Dear
All,</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>I am trying to model
band structure of Ag5Pb2O6 with space group P31m(Nr 162). </SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>But after converting
cif file to struct and reading in the w2web interface and setting a RMT with
setrmt,</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>Pb atoms have
RMT=0.0 after which lstart returns an error. By setting the RMT to small value
0.005 for Pb atoms</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>lstart succeeded but
the created file Ag5Pb2O6.rsp crushes after dstart due the end-file error.
</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>Is this problem of
cif2struct converter or I am doing something wrong?</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>I would appreciate
any advice or suggestion.</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>Thank
you,</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>Toni
Ivas</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>Department of
Materials</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN class=727120114-15052008>ETH
Zurich</SPAN></FONT></DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008></SPAN></FONT> </DIV>
<DIV><FONT face=Arial size=2><SPAN
class=727120114-15052008> </SPAN></FONT></DIV></BODY></HTML>