[QE-developers] Inquiry About Error in projwfc.x

Midnight_Echoes vasp84 at gmail.com
Mon Sep 23 17:40:03 CEST 2024


Dear QE Developers,

I hope this message finds you well. I am currently using the projwfc.x tool
in Quantum ESPRESSO version 7.3.1 and encountered the following error:

Error in routine d_matrix_so (1):
D_S (j=1/2) for this symmetry operation is not unitary

I would like to know if this issue is a known bug or if it may be related
to my input parameters. I attached the inputs I'm using

I would greatly appreciate any guidance you can provide regarding this
issue. Thank you for your assistance!


~Alex C, Ph.D.

California State University
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