[QE-users] q2r with qplot

[Aleksandra Oranskaia]

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/

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