Dear All,
I have a problem of determining the phonon calculation for
iridium at high symmetry points. I calculated the phonons at different high
symmetry points for different set of k grid (used in the first part of scf
calculation). I get different phonon frequencies for each set of k grid at
any particular phonon wave vector q. The variation in phonon frequencies
is not negligible in fact 40-50%. How is it possible? Here in the following
I attached the input files for pwscf and phonon calculation. Please help.
Thank you in advance.*---------------------------------------------------------------------Umesh Chandra RoyResearch Scholar, School of Physical SciencesJawaharlal Nehru University, New Delhi-110067,* *India.* *Email:[email protected] <email%[email protected]>* *Mobile:+919868022722*
ir.scf.in
Description: Binary data
ir.phq.in
Description: Binary data
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