<DIV>Dear Chukwuemka;</DIV>
<DIV>For systems without inversion symmetry one has to do some tricks and mimick a spin polarised calculation as explained in wien2k UG page 129.</DIV>
<DIV> </DIV>
<DIV>Badis Bennecer<BR><BR><B><I>Chukwuemeka Okoye <okoyecmi@yahoo.com></I></B> wrote:</DIV>
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<DIV>Dear users,</DIV>
<DIV>I tried to run:</DIV>
<DIV> </DIV>
<DIV>x opticc -so </DIV>
<DIV> </DIV>
<DIV>after following the procedure in the UG but got the following message.</DIV>
<DIV> </DIV>
<DIV>Address Error</DIV>
<DIV>End of Diagonistics.</DIV>
<DIV> </DIV>
<DIV>My compound does not have inversion.</DIV>
<DIV> </DIV>
<DIV>Please I need suggestions on how to overcome the problem.</DIV>
<DIV> </DIV>
<DIV>Thanks </DIV>
<DIV>C M I Okoye</DIV><BR><BR>
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<P><FONT face=courier>Chukwu<STRONG>emeka</STRONG> M I Okoye</FONT></P>
<P><FONT face=courier>Department of Physics and Astronomy,</FONT></P>
<P><FONT face=courier>University of Nigeria,Nsukka,</FONT></P>
<P><FONT face=courier>Enugu State, <STRONG>Nigeria</STRONG>.</FONT></P>
<P><FONT face=courier>+2348045257257</FONT></P>
<P><FONT face=courier>+234 42 771611</FONT></P></TD></TR>
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