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Sear PWSCF users,<BR>
<BR>
I am calculating the phonon dispersion for graphene. I did the scf calculations then when I am running the ph.x command, I always get 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><SPAN style="mso-spacerun: yes"> </SPAN>Program PHONON<SPAN style="mso-spacerun: yes"> </SPAN>v.4.1.2<SPAN style="mso-spacerun: yes"> </SPAN>starts ...<BR><SPAN style="mso-spacerun: yes"> </SPAN>Today is 31Mar2010 at 12: 1:50 <BR><BR><SPAN style="mso-spacerun: yes"> </SPAN>Ultrasoft (Vanderbilt) Pseudopotentials<BR><BR><SPAN style="mso-spacerun: yes"> </SPAN>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR><SPAN style="mso-spacerun: yes"> </SPAN>from phq_readin : error #<SPAN style="mso-spacerun: yes"> </SPAN>1<BR><SPAN style="mso-spacerun: yes"> </SPAN>reading inputph namelist<BR><SPAN style="mso-spacerun: yes"> </SPAN>%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%<BR><BR><SPAN style="mso-spacerun: yes"> </SPAN>stopping ...<BR><?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p> </o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><o:p></o:p></FONT></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><o:p><FONT face=Verdana>which means that something is wrong in the input. But I could not fins any mistake in the input file...Can anyone please check it for me? My input is:</FONT></o:p></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><o:p><FONT face=Verdana></FONT></o:p></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><o:p></o:p></FONT></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><o:p></o:p></FONT></SPAN> </P><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><o:p>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3>&inputph<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>tr2_ph=1.0d-14,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>prefix='ph mono graphene',<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>ldisp=.true.,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>nq1=28, nq2=28, nq3=1,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>amass(1)=12.00000,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>outdir='/tmp/results_MOUJAES/',<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN>fildyn='phmgraphene.dyn'<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt" align=left><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3>/<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><FONT face=Verdana>Thanks</FONT></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><FONT face=Verdana></FONT> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><FONT face=Verdana>Elie Moujaes</FONT></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><FONT face=Verdana>University of Nottingham</FONT></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><FONT face=Verdana>NG7 2RD</FONT></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><FONT face=Verdana>UK</FONT></o:p></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><o:p></o:p></FONT></SPAN> </P>
<P class=MsoPlainText style="MARGIN: 0in 0in 0pt"><SPAN lang=EN-GB style="FONT-FAMILY: 'Courier New'"><FONT size=3><o:p></o:p></FONT></SPAN> </P> <br /><hr />Got a cool Hotmail story? <a href='http://clk.atdmt.com/UKM/go/195013117/direct/01/' target='_new'>Tell us now</a></body>
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