<BODY background="0" ><FONT color=red><FONT size=5><FONT color=black>Dear all:</FONT> <BR></FONT></FONT><FONT size=4>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; I want to have a calcution for a larger crystall cell <FONT color=red>(&gt;100atoms/unit cell</FONT>).But I couldn't have a successful scf. <BR>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; how to deal with that?</FONT> <BR><FONT size=4>&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp; thanks!</FONT> <br><!-- urlfiles --><br><br><!-- footer --><br><br>
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