<DIV>Hi, friends:</DIV>
<DIV> </DIV>
<DIV>when I try to run the following PW input</DIV>
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<DIV> </DIV>
<DIV>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>&CONTROL<?xml:namespace prefix = o ns = "urn:schemas-microsoft-com:office:office" /><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>title = BF3(HF) ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>calculation = 'scf' ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>restart_mode = 'restart' ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>outdir = . ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>pseudo_dir = . ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>prefix = BF3(HF)_ ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>tstress = .false. ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>tprnfor = .true. ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>tefield = .false. ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>/<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>&SYSTEM<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>ibrav = 0,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>celldm(1) = 24,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>nat = 6,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN><SPAN style="mso-spacerun: yes"> </SPAN>ntyp = 3,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>ecutwfc = 50 ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>ecutrho = 4 ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>/<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>&ELECTRONS<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>diagonalization = 'cg' ,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>diago_cg_maxiter = 100,<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>/<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New">CELL_PARAMETERS cubic <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>1.000000000<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000 <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>1.000000000<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000 <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>0.000000000<SPAN style="mso-spacerun: yes"> </SPAN>1.000000000 <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New">ATOMIC_SPECIES<o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>B<SPAN style="mso-spacerun: yes"> </SPAN>10.81100<SPAN style="mso-spacerun: yes"> </SPAN>B.UPF <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><FONT face="Courier New"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><SPAN style="mso-spacerun: yes"> </SPAN></SPAN>F<SPAN style="mso-spacerun: yes"> </SPAN>18.99840<SPAN style="mso-spacerun: yes"> </SPAN>F.UPF <o:p></o:p></FONT></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>H<SPAN style="mso-spacerun: yes"> </SPAN>1.00794<SPAN style="mso-spacerun: yes"> </SPAN>H.UPF <o:p></o:p></FONT></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New">ATOMIC_POSITIONS angstrom <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>B<SPAN style="mso-spacerun: yes"> </SPAN>-1.824896638<SPAN style="mso-spacerun: yes"> </SPAN>0.195666675<SPAN style="mso-spacerun: yes"> </SPAN>0.202809892<SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>F<SPAN style="mso-spacerun: yes"> </SPAN>-2.729464011<SPAN style="mso-spacerun: yes"> </SPAN>-1.082750705<SPAN style="mso-spacerun: yes"> </SPAN>1.576871537<SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>F<SPAN style="mso-spacerun: yes"> </SPAN>-1.392329705<SPAN style="mso-spacerun: yes"> </SPAN>0.509287484<SPAN style="mso-spacerun: yes"> </SPAN>-1.721146223<SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>F<SPAN style="mso-spacerun: yes"> </SPAN>-0.629450936<SPAN style="mso-spacerun: yes"> </SPAN>1.269468177<SPAN style="mso-spacerun: yes"> </SPAN>1.602476404<SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>F<SPAN style="mso-spacerun: yes"> </SPAN>-6.330946654<SPAN style="mso-spacerun: yes"> </SPAN>1.609929316<SPAN style="mso-spacerun: yes"> </SPAN>-0.892876570 <SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New"><SPAN style="mso-spacerun: yes"> </SPAN>H<SPAN style="mso-spacerun: yes"> </SPAN>-6.455784057<SPAN style="mso-spacerun: yes"> </SPAN>2.768638698<SPAN style="mso-spacerun: yes"> </SPAN>-1.739796139<SPAN style="mso-spacerun: yes"> </SPAN><o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><FONT face="Courier New">K_POINTS automatic <o:p></o:p></FONT></SPAN></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><FONT face="Courier New"><SPAN lang=EN-US style="mso-ansi-language: EN-US"><SPAN style="mso-spacerun: yes"> </SPAN></SPAN>1 1 1<SPAN style="mso-spacerun: yes"> </SPAN>1 1 1 <o:p></o:p></FONT></P>
<P class=MsoPlainText style="MARGIN: 0cm 0cm 0pt"><o:p><FONT face="Courier New"> </FONT></o:p></P></DIV>
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<DIV> </DIV>
<DIV>I see an error 64 when PW.X is reading namelist control. What's happening? I'm using PW.X 2.0.4 compiled by Intel Fortran 8 in a Red Hat Linux box and the input was generated using PWGUI.</DIV>
<DIV> </DIV>
<DIV>Thanks in advance,</DIV>
<DIV> </DIV>
<DIV>Roberto Veiga</DIV><p>
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