<DIV>Dear Stefaan,</DIV>
<DIV> </DIV>
<DIV>Thanks a lot for your reply.</DIV>
<DIV> </DIV>
<DIV>Regards,</DIV>
<DIV> </DIV>
<DIV>Stargmoon<BR><BR><B><I>Stefaan Cottenier <Stefaan.Cottenier@fys.kuleuven.ac.be></I></B> wrote:</DIV>
<BLOCKQUOTE class=replbq style="PADDING-LEFT: 5px; MARGIN-LEFT: 5px; BORDER-LEFT: #1010ff 2px solid"><BR>> Could you please tell me which file (and the format of this file) the<BR>> density matrix of each atom is written to?<BR><BR>case.dmat (or case.dmatup/dn). The first line of the matrix is written <BR>first, but can run over several lines in your editor. Each element is <BR>a complex number. Only for the atoms and the states specified in <BR>case.indm, the density matrix is written.<BR><BR>Stefaan<BR><BR>_______________________________________________<BR>Wien mailing list<BR>Wien@zeus.theochem.tuwien.ac.at<BR>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</BLOCKQUOTE><p>
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