[CP2K-user] [CP2K:21921] Fermi surface visualization/ Kpoints related to &DFT&PRINT&MO
Mohammadreza Shirazi
mdshirazi at gmail.com
Mon Oct 27 09:29:49 UTC 2025
Dear all,
I am trying to plot Fermi surface of a magnetic unit cell using the post
SCF calculation. I used &DFT&PRINT&MO section and symmetry off to output
everything. The kpoints I read from the output is 4 times the kpoints in
printed in the MO, my first guess was that it should come from an
irreducible representation of the unitcell but as I understand this is not
implemented in the code as it is indicated here
https://arxiv.org/abs/2508.15559. I searched also in the mailing list and
did not find any appropriate tools, if already another method to output
Fermi surface is available I really appreciate to know it.
Thanks everyone,
Reza
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