[QE-users] Parity check of wave function
Rameswar Bhattacharjee
rb1820 at georgetown.edu
Fri Nov 17 06:48:45 CET 2023
Hi Everyone,
I want to check the parity of wave function if it is +1 or -1. This information is needed to determine the topological nature of a system.
Can anyone please let me know if this can be done in QE? Also if there are programs available for post processing for that, please suggest.
Your suggestion would be highly appreciated.
Thanks
Rameswar
Georgetown University
Dept of Chemistry
Sent from my iPhone
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