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<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">Dear Wiens<?xml:namespace prefix = o ns =
"urn:schemas-microsoft-com:office:office" /><o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝"><SPAN style="mso-spacerun: yes"> </SPAN>I'm a
new Wien2K user and I have three main
questions<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><o:p><FONT
face="ＭＳ Ｐ明朝" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">First; I have succeeded in installing the Wien2K on a
P4 system with 2.2GHz and 1.2GB Ram. However the speed of analysis is not quite
enough. <o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><o:p><FONT
face="ＭＳ Ｐ明朝" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">Is it possible that wien2K- package work on a
supercomputer?.<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">Supercomputer is Fujitsu VPP5000/80PE system, vector
and parallel processors. <o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">Supercomputer is not support the Linux, but is based
on UNIX System 5 Release 4 system.<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">The compilers are; Fujitsu Fortran77,90,95; and
Fujitsu C++.<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">The Parallel Library and
tools<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">DPCE (parallel tool for C
language);<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">HPF; MPI; MPTools;
PVM<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><o:p><FONT
face="ＭＳ Ｐ明朝" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">Numerical Library<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
size=3><FONT face="ＭＳ Ｐ明朝">BLAS/VP<SPAN style="mso-spacerun: yes">
</SPAN>(BLAS library for vector program)<o:p></o:p></FONT></FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
face="ＭＳ Ｐ明朝" size=3>LAPACK/VP; ScaLAPACK; C-SSL2 II/VP; SSL II/HPF; SSL II/VP;
SSL II/VPP</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><o:p><FONT
face="ＭＳ Ｐ明朝" size=3> </FONT></o:p></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
face="ＭＳ Ｐ明朝" size=3>Second; how can I calculate the formation energy of Oxygen
vacancy in SrTiO3 bulk. using the Wien2K ?</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
face="ＭＳ Ｐ明朝" size=3></FONT></SPAN> </P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
face="ＭＳ Ｐ明朝" size=3>regards</FONT></SPAN></P>
<P class=MsoNormal style="MARGIN: 0mm 0mm 0pt"><SPAN lang=EN-US><FONT
face="ＭＳ Ｐ明朝" size=3>Alaa Hamid</FONT></SPAN></P></FONT></DIV></BODY></HTML>