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<DIV><FONT face="Times New Roman">Dear Wein2k users,</FONT></DIV>
<DIV><FONT face="Times New Roman"></FONT> </DIV>
<DIV><FONT face="Times New Roman">May I ask to help me.</FONT></DIV>
<DIV><FONT face="Times New Roman">I performed SCF-cycle for W bcc (runsp_lapw
-orb -so) with next case.in0</FONT></DIV>
<DIV><FONT face="Times New Roman">*******</FONT></DIV>
<DIV><FONT face="Times New Roman">TOT 13
(5...CA-LDA, 13...PBE-GGA, 11...WC-GGA)</FONT></DIV>
<DIV><FONT face="Times New Roman">NR2V
IFFT (R2V)</FONT></DIV>
<DIV><FONT face="Times New Roman"> 24 24 24
2.00 min IFFT-parameters, enhancement factor</FONT></DIV>
<DIV><FONT face="Times New Roman">*******<BR>and case.inso</FONT></DIV>
<DIV><FONT face="Times New Roman">*******</FONT></DIV>
<DIV>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT face="Times New Roman">WFFIL<BR><SPAN
style="mso-spacerun: yes"> </SPAN>3<SPAN style="mso-spacerun: yes">
</SPAN>0<SPAN style="mso-spacerun: yes"> </SPAN>0<SPAN
style="mso-spacerun: yes">
</SPAN>llmax,ipr,kpot <BR><SPAN
style="mso-spacerun: yes"> </SPAN>-10.0000<SPAN
style="mso-spacerun: yes"> </SPAN>9.50000<SPAN
style="mso-spacerun: yes">
</SPAN>emin,emax (output energy window)<BR><SPAN
style="mso-spacerun: yes"> </SPAN>0.<SPAN
style="mso-spacerun: yes"> 0</SPAN>.<SPAN style="mso-spacerun: yes">
</SPAN>1.<SPAN
style="mso-spacerun: yes">
</SPAN>direction of magnetization (lattice vectors)<BR><SPAN
style="mso-spacerun: yes"> </SPAN>1<SPAN
style="mso-spacerun: yes">
</SPAN>number of atoms for which RLO is added<BR><SPAN
style="mso-spacerun: yes"> </SPAN>1<SPAN
style="mso-spacerun: yes"> </SPAN>-2.69<SPAN
style="mso-spacerun: yes"> </SPAN>0.01<SPAN
style="mso-spacerun: yes"> </SPAN>atom
number,e-lo,de (case.in1), repeat NX times<BR><SPAN
style="mso-spacerun: yes"> </SPAN>0 0 0 0 0<SPAN
style="mso-spacerun: yes">
</SPAN>number of atoms for which SO is switch off; atoms</FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT
face="Times New Roman">******<BR></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT face="Times New Roman">When I changed the
direction of magnetization on 0. 1. 1. in case.inso,</FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT face="Times New Roman">I get the
error massage</FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT face="Times New Roman"><EM>LAPW0
END<BR></EM><I>SELECT - Error<BR></I><I>and the next error
message:<BR></I><I> 'SELECT' - no energy limits found for L=
0<BR></I><I> 'SELECT' - E-bottom -200.00000 E-top
-200.00000</I></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT face="Times New Roman"><I>in file
"uplapw1.error".<BR></I></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT face="Times New Roman">Thank you in
advance,</FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US
style="mso-ansi-language: EN-US"><FONT
face="Times New Roman">
Oleg Atamonov.</P></FONT></SPAN></DIV></BODY></HTML>