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<DIV><FONT size=2 face=Arial>Carefully read the "Additional information" of
INPUT_PH.html, then you </FONT></DIV>
<DIV><FONT size=2 face=Arial>can do easilly what you want.</FONT></DIV>
<DIV><FONT size=2 face=Arial></FONT> </DIV>
<DIV><FONT size=2 face=Arial>Huiqun Zhou</FONT></DIV>
<DIV><FONT size=2 face=Arial>@Earth Sciences, Nanjing University,
China</FONT></DIV>
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style="BORDER-LEFT: #000000 2px solid; PADDING-LEFT: 5px; PADDING-RIGHT: 0px; MARGIN-LEFT: 5px; MARGIN-RIGHT: 0px">
<DIV style="FONT: 10pt arial">----- Original Message ----- </DIV>
<DIV
style="FONT: 10pt arial; BACKGROUND: #e4e4e4; font-color: black"><B>From:</B>
<A title=hrhee@ucdavis.edu href="mailto:hrhee@ucdavis.edu">Hahnbidt Rhee</A>
</DIV>
<DIV style="FONT: 10pt arial"><B>To:</B> <A title=pw_forum@pwscf.org
href="mailto:pw_forum@pwscf.org">pw_forum@pwscf.org</A> </DIV>
<DIV style="FONT: 10pt arial"><B>Sent:</B> Wednesday, June 09, 2010 8:56
AM</DIV>
<DIV style="FONT: 10pt arial"><B>Subject:</B> [Pw_forum] Calculating multiple
el-ph matrices simultaneously</DIV>
<DIV><BR></DIV>Hello, all. I am doing electron-phonon calculations, and my
question pertains specifically to getting the el-ph matrices for each q-point.
I have noticed that, although calculating a matrix of one q-point is
independent of that of another q-point, the code calculates one q-point at a
time--ie, one after the other--which makes for an inefficient and very
time-consuming run. This is based on the <A href="http://elph.in">elph.in</A>
input file (for ph.x), given in Example07 of the examples given by PWSCF, in
which there is a line to specify the q-pt grid,<BR><BR>
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style="BORDER-LEFT: rgb(204,204,204) 1px solid; MARGIN: 0pt 0pt 0pt 0.8ex; PADDING-LEFT: 1ex"
class=gmail_quote> nq1=4, nq2=4, nq3=4<BR></BLOCKQUOTE><BR>but not
individual q-pts. So one run takes care of all the q-points. Is there an
option (that I don't know of) to create separate jobs for each q-point so that
I can calculate el-ph matrices of multiple inequivalent q-pts SIMULTANEOUSLY?
I am using the parallel version of the latest code (v4.2), so it seems
reasonable for there to be this option. Thank you!<BR><BR>HB Rhee<BR>UC
Davis<BR>
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