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 elph.in 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,
nq1=4, nq2=4, nq3=4 > 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! HB Rhee UC Davis -------------- next part -------------- An HTML attachment was scrubbed... URL: http://www.democritos.it/pipermail/pw_forum/attachments/20100608/5094de50/attachment.htm
