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Hi all,<div><br></div><div>I have a question regarding phonon dispersion calculation.</div><div>Shouldn't Monkhorst-pack grids (nq1, nq2, nq3) in 'ph.in' input file be the same as K_POINTS in SCF calculation ?</div><div>I have the scf calculation results with the K_POINTS set as 9 9 3 0 0 0 and tried to run pw.x calculation with nq1 = 9 , nq2 = 9, nq3 = 3,</div><div>but the program complained with 'q-mesh breaks symmetry'</div><div>Could the monkhorst-pack grids be something else such as nq1=4, nq2=4, nq3=4?</div><div>Thank you.</div><div><br></div><div>Ker</div> </div></body>
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