[QE-users] Magnetism of holmium

[Christoph Wolf]

Dear Martin,

which configuration of the pseudo are you using? in Ho I expect the
contribution to the magnetism comes from the f-electrons and using the spdf
pseudos I do get a magnetic GS

from AFM starting configuration

!    total energy              =   -2925.66359219 Ry
     total magnetization       =    -1.19 Bohr mag/cell
     absolute magnetization    =     7.53 Bohr mag/cell
     convergence has been achieved in  57 iterations

HTH!
Chris
---
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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