[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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