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<DIV>As described in the user's guide, page 106 (lapw5), the first three lines
of case.in5 define the window (along some plane as 100, for example) in which
the density is plotted, and the fourth line defines the number of unit cells (in
the three directions of space) contributing to the plotted density. Therefore
all atoms defined by this fourth line contribute to the electron density written
in case.rho.</DIV>
<DIV> </DIV>
<DIV> </DIV>
<DIV>Antoine Villesuzanne<BR>ICMCB-CNRS</DIV>
<DIV><BR>----- Original Message ----- </DIV>
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<DIV
style="BACKGROUND: #e4e4e4; FONT: 10pt arial; font-color: black"><B>From:</B>
<A title=kedypan@gmail.com href="mailto:kedypan@gmail.com">Z.J.</A> </DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A
title=wien@zeus.theochem.tuwien.ac.at
href="mailto:wien@zeus.theochem.tuwien.ac.at">A Mailing list for WIEN2k
users</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Thursday, February 23, 2006 4:19
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> Re: [Wien] How to set the value
of EMIN in case.in2 when calculatingthe electron density plots?</DIV>
<DIV><BR></DIV>
<DIV>Well-beloved Professor Blaha,</DIV>
<DIV> I have another problem to ask you for your
help.When performing the electron density plots, taking the (100) of the TiC
as an example, only the electron densities of those atoms of (100) are
plotted, aren't it? I looking forward to your reply. </DIV>
<DIV> Best regards.</DIV>
<DIV>
Yours sincerely,</DIV>
<DIV> Z.J.</DIV>
<DIV> </DIV>
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