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<div class="MsoNormal">Hello WIEN2k experts<span style="font-family:"Times New Roman","serif""></span></div>
<div class="MsoNormal"><span style="font-family:"Times New Roman","serif"">I want
to study the optical properties of Al As<sub>1-x </sub>P<sub>x</sub><span style="mso-spacerun:yes"> </span>(x=0,0.25,0.5,0.75, 1) but <span style="mso-spacerun:yes"> </span>I have some problems for doing this job .Would
you mind please helping me about these problems?</span></div>
<div class="MsoListParagraph" style="text-indent:-18.0pt;mso-list:l0 level1 lfo1"><span style="font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman""><span style="mso-list:Ignore">1-<span style="font:7.0pt "Times New Roman"">
</span></span></span><span dir="LTR"></span><span style="font-family:
"Times New Roman","serif""><span style="mso-spacerun:yes"> </span>Should I
consider a denser mesh for ordinary <span style="mso-spacerun:yes"> </span>compound
(AlP) than alloy (Al As<sub>0.75</sub>P<sub>0.25</sub>)?</span></div>
<div class="MsoNormal"><span style="font-family:"Times New Roman","serif""> </span></div>
<div class="MsoListParagraph" style="text-indent:-18.0pt;mso-list:l0 level1 lfo1"><span style="font-family:"Times New Roman","serif";mso-fareast-font-family:"Times New Roman""><span style="mso-list:Ignore">2-<span style="font:7.0pt "Times New Roman"">
</span></span></span><span dir="LTR"></span><span style="font-family:
"Times New Roman","serif"">I have generated the structure files for<span style="mso-spacerun:yes"> </span>x=0,0.25,0.75 and 1 with no problem but I
have faced problem with</span><span style="font-family:"Times New Roman","serif";
mso-bidi-language:AR-SA"> the compositions </span><span style="font-family:
"Times New Roman","serif"">x= 0.5. during the initializing for x=0.5 <span style="mso-spacerun:yes"> </span>the structure file from FCC structure will be
changed in to tetragonal structure? Is it true ? <span style="mso-spacerun:yes"> </span>in some articles a chalcopyrite structure is
considered for this composition? Why?</span></div>
<div class="MsoNormal"><span style="font-family:"Times New Roman","serif"">Best
regards</span></div>
<span style="font-size:11.0pt;font-family:"Times New Roman","serif";mso-fareast-font-family:
Calibri;mso-fareast-theme-font:minor-latin;mso-ansi-language:EN-US;mso-fareast-language:
EN-US;mso-bidi-language:EN-US">Sahara Sahraii</span></div></div></body></html>