<html><head><style type="text/css"><!-- DIV {margin:0px;} --></style></head><body><div style="font-family:times new roman, new york, times, serif;font-size:12pt"><DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">
<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">
<DIV style="FONT-SIZE: 12pt; FONT-FAMILY: times new roman, new york, times, serif">
<DIV>Dear WIEN2k users,</DIV>
<DIV> </DIV>
<DIV>I have started to use WIEN2k recently, and have the following question :</DIV>
<DIV> </DIV>
<DIV>I have understood from the UG that the total energy that is computed</DIV>
<DIV>in WIEN slightly depends on the R_MT. That is the reason, in particular,</DIV>
<DIV>that calculations of the same material with different volumes should be performed</DIV>
<DIV>with a constant R_MT.</DIV>
<DIV>The question is : <STRONG>how</STRONG> does the total energy depend on R_MT ? Is it a numerical </DIV>
<DIV>effect (theoretically, R_MT must have no influence on the final result) ?</DIV>
<DIV>I saw that for fcc-Al a variation of R_MT = 1.5 ... 2.5 bring a change of ~1 mRy</DIV>
<DIV>to the total energy. Is it reasonable ? (Full input parameters info. can be provided on request)</DIV>
<DIV>If I want to minimize the influence of R_MT on the result, what are the relevant parameters to change ?</DIV>
<DIV> </DIV>
<DIV>Thank you for your answers.</DIV>
<DIV> </DIV>
<DIV>Eli.</DIV></DIV><BR>
<HR SIZE=1>
Access over 1 million songs - <A href="http://pa.yahoo.com/*http://us.rd.yahoo.com/evt=36035/*http://music.yahoo.com/unlimited/" target=_blank rel=nofollow>Yahoo! Music Unlimited.</A></DIV><BR></DIV></div><br>
<hr size=1>Everyone is raving about <a href="http://us.rd.yahoo.com/evt=42297/*http://advision.webevents.yahoo.com/mailbeta">the all-new Yahoo! Mail beta.</a></body></html>