mitsuaki1987 / sctk

Superconducting-Toolkit (SCTK) is a first-principles program package based on density functional theory for superconductors (SCDFT)
https://mitsuaki1987.github.io/sctk/
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can search_sym be set to .true. ? #13

Open alpinnovianus opened 8 months ago

alpinnovianus commented 8 months ago

In the tutorial files elph.in / epmat.in that is run in ph.x, the tag search_sym is set to .false.

Is there a reason for it? Can it be set to .true.?

mitsuaki1987 commented 8 months ago

I found sometimes searching the symmetry of phonon fails (crash and stop ph.x). Then I turned off it because it is not necessary for the SCDFT calculation.