Dear QE-community, Can please someone suggest the input for q2r.x for the following case:
ph.x input &inputph ... ldisp = .False., qplot = .True. ... / 5 0.5 0.5 0.5 1 !1st 0.25 0.25 0.25 1 0.0 0.0 0.0 1 !2nd 0.25 0.25 0.0 1 0.5 0.5 0.0 1 !3rd How to feed them q2r.x? I want to continue with the phonon bands exactly in between (0.5 0.5 0.5) - (0.0 0.0 0.0) - (0.5 0.5 0.0) using the calculation for five q-points, but am stuck with the q2r input. I tried this (and other options) but it did not work: &input ... / 1 1 1 5 file.G1 file.G2 file.G3 file.G4 file.G5 I will be very happy with the hints. Thank you! -- Best wishes, Al., phd candidate in chemical sciences 'I.. a universe of atoms, an atom in the universe' (Richard P. Feynman) https://cpms.kaust.edu.sa/ -- This message and its contents, including attachments are intended solely for the original recipient. If you are not the intended recipient or have received this message in error, please notify me immediately and delete this message from your computer system. Any unauthorized use or distribution is prohibited. Please consider the environment before printing this email.
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