Re: [QE-users] Broken kramers degeneracy in antiferromagnet

2024-01-18 Thread Davide Ceresoli
Dear Francesco, I might be wrong, but could it be this case: https://physics.aps.org/articles/v17/4 ? Best, D. On 1/16/24 21:47, Francesco Delodovici wrote: Dear users, I have a problem computing the electrons band structure of BiFeO3, antiferromagnet (no SOC), R3c space gorup, with Hubbard

[QE-users] Broken kramers degeneracy in antiferromagnet

2024-01-16 Thread Francesco Delodovici
Dear users, I have a problem computing the electrons band structure of BiFeO3, antiferromagnet (no SOC), R3c space gorup, with Hubbard corrections on Fe. I define different starting_magnetizations for the two sublattices of spin centers, as described in the Input File Description. When I comput