<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN">
<HTML><HEAD>
<META http-equiv=Content-Type content="text/html; charset=gb2312">
<META content="MSHTML 6.00.2800.1400" name=GENERATOR></HEAD>
<BODY>
<DIV>Dear Mr. Andersen</DIV>
<DIV>Thanks for&nbsp;your reply.&nbsp;&nbsp;I have found that there have&nbsp;a 
optional&nbsp;parameters EFIELD for the perturbation electic field in the 
case.in0. </DIV>
<DIV>my question is how can i define the electric field direction and the 
meaning of he IEFIELD parameter?</DIV>
<DIV>Best regards,</DIV>
<DIV>L.Z.Sun</DIV>
<DIV>
<HR>
</DIV>
<DIV>Dear&nbsp;Mr.&nbsp;Sun,</DIV>
<DIV>&nbsp;</DIV>
<DIV>you&nbsp;have&nbsp;to&nbsp;be&nbsp;more&nbsp;specific!</DIV>
<DIV>&nbsp;</DIV>
<DIV>In&nbsp;general,&nbsp;DFT&nbsp;codes&nbsp;can&nbsp;not&nbsp;handle&nbsp;"arbitrary"&nbsp;electromagnetic&nbsp;fields&nbsp;</DIV>
<DIV>if&nbsp;selfconsistency&nbsp;is&nbsp;needed,&nbsp;since&nbsp;the&nbsp;"ground&nbsp;state"&nbsp;become&nbsp;undefined.</DIV>
<DIV>&nbsp;</DIV>
<DIV>If&nbsp;a&nbsp;perturbation&nbsp;approach&nbsp;(the&nbsp;DFT&nbsp;"ground&nbsp;state"&nbsp;is&nbsp;well&nbsp;defined)&nbsp;is&nbsp;</DIV>
<DIV>good&nbsp;enough&nbsp;for&nbsp;you,&nbsp;you&nbsp;should&nbsp;be&nbsp;able&nbsp;to&nbsp;use&nbsp;wien2k.</DIV>
<DIV>&nbsp;</DIV>
<DIV>Best&nbsp;regards,</DIV>
<DIV>Torsten&nbsp;Andersen.</DIV>
<DIV>&nbsp;</DIV>
<DIV>L.Z.&nbsp;Sun&nbsp;wrote:</DIV>
<DIV>&gt;&gt; &nbsp;Dear&nbsp;WIEN2k&nbsp;users,</DIV>
<DIV>&gt;&gt; 
&nbsp;i&nbsp;want&nbsp;to&nbsp;study&nbsp;the&nbsp;case&nbsp;which&nbsp;the&nbsp;properties&nbsp;of&nbsp;&nbsp;semiconductor&nbsp;</DIV>
<DIV>&gt;&gt; 
&nbsp;materials&nbsp;under&nbsp;an&nbsp;arbitrary&nbsp;external&nbsp;electronic&nbsp;fields.&nbsp;&nbsp;can&nbsp;wien2k&nbsp;</DIV>
<DIV>&gt;&gt; &nbsp;deal&nbsp;this&nbsp;calculation?</DIV>
<DIV>&gt;&gt; &nbsp;&nbsp;</DIV>
<DIV>&gt;&gt; &nbsp;&nbsp;thanks&nbsp;advance.</DIV>
<DIV>&gt;&gt; &nbsp;L.Z.Sun</DIV>
<DIV>&nbsp;</DIV>
<DIV>--&nbsp;</DIV>
<DIV>Dr.&nbsp;Torsten&nbsp;Andersen&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;&nbsp;TA-web:&nbsp;http://deep.at/myspace/</DIV>
<DIV>AG&nbsp;Hübner,&nbsp;Department&nbsp;of&nbsp;Physics,&nbsp;Kaiserslautern&nbsp;University</DIV>
<DIV>http://cmt.physik.uni-kl.de&nbsp;&nbsp;&nbsp;&nbsp;http://www.physik.uni-kl.de/</DIV>
<DIV>&nbsp;</DIV>
<DIV>_______________________________________________</DIV>
<DIV>Wien&nbsp;mailing&nbsp;list</DIV>
<DIV>Wien@zeus.theochem.tuwien.ac.at</DIV>
<DIV>http://zeus.theochem.tuwien.ac.at/mailman/listinfo/wien</DIV>
<DIV>&nbsp;</DIV>
<HR>
</BODY></HTML>