<P>Dear all,</P>
<P>I need you clarify some definitions/concepts about electron difference density for me:</P>
<P>What I am trying to do is to plot the valence density (EFG source) for my crystals, I changed EMIN of -12 in TiC.in2 file to -1 in a hope to remove 3s and 3p states, then I changed and NOT changed RHO to DIFF in the file of TiC.in5c, the maps are so different from each other.</P>
<P>Thus, one of my question is: whick files I am supposed to edit for the valence electron density map? EMIN or DIFF or both?</P>
<P> </P>
<P>I also tried to change P/N in both TiC.inst and TiC.inst_sigma, however, it seems such changes did not modify the resulted electron density map at all.</P>
<P> </P>
<P>So, please clarify these things for me, I am very confused by these concepts now.</P>
<P>Thank you in advance!</P>
<P>Bing</P><br><br>