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Dear all and Prof. Yates,<BR>
<BR>
Thanks for your reply. I have a small question about using the .PL file..How can I make it produce the suitable k-mesh. I used that of the example of graphite but when i executed pw2wannier90.x (I used disentanglement and everything went smoothly when wannier90.x was applied) I got the error<BR>
<BR>
<BR>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3>Checking info from wannier.nnkp file<BR><BR><SPAN style="mso-spacerun: yes"> </SPAN>Something wrong! <BR><SPAN style="mso-spacerun: yes"> </SPAN>rlatt(i,j) = 0.9999919712663213<SPAN style="mso-spacerun: yes"> </SPAN>at(i,j)= 1.</FONT><BR></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'">I think this might be related to to the wrong kmesh. Sorry if my questions are maybe easy to figure out but I have no big experience in Fortran and I am trying to lears as quick as possible.</SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'">Thanks</SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'">Elie Moukaes</SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'">University of Nottingham</SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'">NG7 2RD</SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'">Nottinhgham</P></SPAN> <br /><hr />Not got a Hotmail account? <a href='http://clk.atdmt.com/UKM/go/197222280/direct/01/' target='_new'>Sign-up now - Free</a></body>
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