<P><BR> Dear, </P>
<P> Thinks your information about my question. but l have yet some puzziles</P>
<P> 1. I want to module the spin density of Ga1-xMnxAs <FONT color=#3300ff>[PRB, 64, 35207],</FONT> so I make the in5 file by crysden as follows:</P>
<P>------------------------------</P>
<P>15000000 15000000 5000000 10000000<BR>15000000 15000000 15000000 10000000<BR>5000000 5000000 5000000 10000000<BR>3 2 3<BR>114 81<BR><FONT color=#3300cc>DIFF SUB</FONT> <BR>ATU VAL NODEBUG<BR>NONORTHO</P>
<P>-----------------------</P>
<P> After completing the "X LAPW5 -UP", I plot the spin density contour, but it isn't same as the piture of Ga1-xMnxAs <FONT color=#3300ff>[PRB, 64, 35207].</FONT><FONT color=#000000> I don't know why? </FONT></P>
<P> 2. I want to module the tota valence density of Ga1-xMnxAs <FONT color=#3300ff>[PRB, 64, 35207],</FONT> so I make the in5 file as follows:</P>
<P>------------------------------</P>
<P>15000000 15000000 5000000 10000000<BR>15000000 15000000 15000000 10000000<BR>5000000 5000000 5000000 10000000<BR>3 2 3<BR>114 81<BR><FONT color=#0000cc>All</FONT> <BR>ATU VAL NODEBUG<BR>NONORTHO</P>
<P>-------------------------------</P>
<P> Then calculated with the "X LAPW5 -UP", am i right<FONT color=#000000>? </FONT></P>
<P> 3. I want to plot the density contour with Orgin software, but when the file"rho" is imported to Orgin, it doesn't show the density correctly. How the data "rho" are treated ?</P>
<P> Thinks!</P>
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