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<DIV><FONT size=2>Dear colleagues,</DIV></FONT><FONT face="Arial CYR"
size=2></FONT><FONT size=2>
<P>I am very glad, that you managed to correct errors in</FONT><FONT
face="Arial CYR" size=2> </FONT><FONT size=2>makefile</FONT><FONT
face="Arial CYR" size=2> </FONT><FONT size=2>which were in version 1.2. I
compiled your programs in</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>ifc 7.1 c</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>libraries MKL 6.0</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>and have corrected the some syntactic fortran errors. Almost all tests
from your list at me have successfully come to the end. I have remained is very
pleased with your program. But when I have made on the basis of these tests my
test program for calculation of band structure and</FONT><FONT face="Arial CYR"
size=2> </FONT><FONT size=2>DOS's</FONT><FONT face="Arial CYR" size=2>
</FONT><FONT size=2>for</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>MgB2</FONT><FONT face="Arial CYR" size=2> </FONT><FONT size=2>(hexagonal
structure), at me had</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>problems. I send these files as an investment in this letter. As I send
also pseudo-potentials. I have questions:</P></FONT><FONT face="Arial CYR"
size=2></FONT><FONT size=2>
<P>1. Why is not present</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>p-and d - state</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>at</FONT><FONT face="Arial CYR" size=2> </FONT><FONT
size=2>Mg?</P></FONT><FONT face="Arial CYR" size=2></FONT><FONT size=2>
<P>2. How correctly to construct band structure for hexagonal
lattice?</P></FONT><FONT face="Arial CYR" size=2></FONT><FONT size=2>
<P>Very much I hope, that you will find a little time to answer my
questions.</P></FONT><FONT face="Arial CYR" size=2></FONT><FONT size=2>
<P>Yours faithfully,</P>
<P>Igor R. Shein<BR>Institute of Solid State Chemistry<BR>Russian Academy of
Sciences-Ural Division<BR>620219 Yekaterinburg GSP-145<BR>Russia<BR><A
href="mailto:shein@ihim.uran.ru">shein@ihim.uran.ru</A></P>
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