Fermi surface visualization/ Kpoints related to &DFT&PRINT&MO

8 views
Skip to first unread message

Mohammadreza Shirazi

unread,
Oct 27, 2025, 6:01:18 AM (2 days ago) Oct 27
to cp2k
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
Reply all
Reply to author
Forward
0 new messages