---------- Forwarded message --------- From: SPPU/05097P/2021 OYOMO BILL C <[email protected]> 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: <[email protected]>
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 --
&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', /
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