<DIV><BR>Dear Juergen Spitaler:</DIV>
<DIV> I write to you to ask whether the interface code between the WIEN2K and ATAT had done,I really need it.can you give me a trial version.</DIV>
<DIV> Thank you!</DIV>
<DIV>Chumaoyou <BR>Beijing General Reserch Institute For Nonferror Metals<BR><BR></DIV>
<DIV></DIV><BR>在2009-08-10，"Juergen Spitaler" <juergen.spitaler@unileoben.ac.at> 写道：<BR>
<BLOCKQUOTE id="isReplyContent" style="PADDING-LEFT: 1ex; MARGIN: 0px 0px 0px 0.8ex; BORDER-LEFT: #ccc 1px solid">An interface between WIEN2k and ATAT has been developed <BR>in our group and will be available in a few weeks, after some<BR>final testing and clean-up. We will inform you via the WIEN2k<BR>mailing list as soon as we are ready.<BR><BR>Juergen Spitaler<BR><BR><BR><BR>wien2k_ocm wrote:
<BLOCKQUOTE cite="mid31756673.603221249696367946.JavaMail.coremail@bj163app116.163.com" type="cite"><PRE wrap="">Hi,:
I am a user of your WIEN2K Code,I write to you to ask whether there is an
interface with WIEN2k code to Alloy Theoretic Automated Toolkit (ATAT) Code,the
ATAT code told me that WIEN2K had writen a interface batween ATAT and WIEN2K, my
main object is to calculate the vibration and electornic entropy .if there is not
an interface ,how can I use the output of WIEN2K to calculate these ?
Thank you ,I wish you advice.
Chumaoyou
Beijing General Reserch Institute For Nonferror Metals
</PRE><PRE wrap=""><HR width="90%" SIZE="4">
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</PRE></BLOCKQUOTE><BR><BR><PRE class="moz-signature" cols="80">--
Dr. Jürgen Spitaler
Material Center Leoben and
Chair of Atomistic Modelling and Design of Materials, Leoben University
Franz-Josef-Straße 18
8700 Leoben
Tel.: ++43 (0)3842 402 4404
E-Mail: <A class="moz-txt-link-abbreviated" href="mailto:juergen.spitaler@unileoben.ac.at">juergen.spitaler@unileoben.ac.at</A>
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