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<P>Dear Kevin:</P>
<P> Thanks for your reply. There is 26 inequivalent atom in my system, but the *.inst only gives 21( it seems the maximum number). I don't know how to increase it. Maybe I should change something by siteconfig? While in the userguide it is said in wien2k all important arrays are allocated dynamically. Then what i should do?</P>
<P>regards </P></BLOCKQUOTE></DIV></DIV><p><br><hr size=1><b>Do You Yahoo!?</b><br>
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