[QE-users] error in phonon calculation
Soumendra Kumar Das
soumendra1591 at niser.ac.in
Wed Aug 3 14:58:59 CEST 2022
Dear QE users,
I am getting an error in phonon calculation for a large super cell with 64
atoms, but scf works fine.
Please kindly suggest how to fix it.
Error in routine set_irr_sym_new (3522):
wrong representation
*Thanks and Regards*
*Soumendra Kumar Das*
*Postdoc. Research Scholar*
*School of Physical Sciences*
*National Institute of Science Education and Research (NISER), *
*Bhubaneswar*
*PO- Bhimpur-Padanpur, Via- Jatni, District:- Khurda*
*PIN – 752050, Odisha, INDIA*
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