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<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>The list of functionals available for PWscf, posted
(e.g.) on the QE home page includes B3LYP and several other hybrid potentials. Still,
attempts to use BL3YP with pw.x from versions 4.1.1 or 4.2.1 of QE and with calculation=”scf”
result in the error message from setup.f90: “HYBRID XC not implemented in
PWscf”. Was B3LYP removed from recent distributions, or I miss something
else? I could not find any information on this subject. But I found several
remarks indicating that people used PWscf with B3LYP, and this confuses me even
more.</span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'> </span></font></p>
<p class=MsoNormal><font size=2 face=Arial><span lang=EN-GB style='font-size:
10.0pt;font-family:Arial'>Cheers -- Jarek</span></font></p>
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<P><FONT face=Verdana><FONT size=2 face=Arial><FONT size=1
face=Verdana>_____________________________________________</FONT></FONT></FONT></P>
<P></FONT></FONT></FONT><FONT face=Verdana><FONT size=2
face=Arial><STRONG>Dr.rer.nat.</STRONG></FONT></FONT><FONT face=Verdana><FONT
size=2 face=Arial><STRONG> Jaroslaw Dabrowski<BR>Scientist<BR>Materials Research<BR>IHP</STRONG></P>
<P>Fon: +49 (335) 5625-316<BR>Fax: +49 (335) 5625-681<BR>E-Mail: dabrowski@ihp-microelectronics.com<BR>Website: <A
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<P><FONT face=Verdana><FONT size=2 face=Arial><FONT size=1
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<P></FONT><SPAN lang=DE><FONT size=1 face=Arial>IHP GmbH<BR></FONT><FONT size=1
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