[QE-users] Fwd: How to generate complete q-points from reduced number of q-points by ph.x

[SPPU/05097P/2021 OYOMO BILL C]

---------- Forwarded message ---------
From: SPPU/05097P/2021 OYOMO BILL C <billclintone44 at students.tukenya.ac.ke>
Date: Sun, Jan 29, 2023 at 11:50 PM
Subject: How to generate complete q-points from reduced number of q-points
by ph.x
To: <users at lists.quantum-espresso.org>


Hello ,

When I run ph. x, it generates 4 q-points, and in the output, I have only
dyn0, dyn1, dyn3 and dyn4. My request is to suggest a way to go out of this
problem so that I can obtain all  complete 8 q-points from the reduced
number of q-points. How do I use the  q2qstqr.x executable to do this?
please ind attached ph.in file that I used .

Regards,

Bill

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&inputph
outdir="./tmp/",
prefix="Ti2CdC",
tr2_ph = 1d-6,
ldisp = .true.,
nq1=6, nq2=6, nq3=2,
amass(1)= 47.867,
amass(2)=112.411,
amass(3)=12.0107,
fildyn='dyn.out',
/