[QE-users] How to enable symmetry in ph.x calculation

SOUMYOJIT CHATTERJEE 20211 soumyojitc20 at iiserbpr.ac.in
Wed Feb 12 15:19:26 CET 2025


Hello users,
I have a doubt regarding DFPT calculation with Quantum Espresso 7.2.
Here I am trying to run the calculation with 10 10 10 grids and the total
number of k points on which the calculation will be performed is 504.
For each k point there are 18 representations (18 phonon modes).
and it is not reducing the number following the symmetry, which is making
the calculation impossible with my limited computational resources.
Please suggest some options with which I can enforce the symmetry to
perform the calculation on a reduced cell.

with regards
Soumyojit Chatterjee
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