Very cool work ~10 years ago by Wei Cai and Giulia Galli (PRL) - but I
think it's not available anywhere.
nicola
On 27/08/2019 19:29, Christoph Wolf wrote:
As far as I know magnetic fields are incompatible with periodic boundary
conditions and plane-wave DFT. I did find however several
implementations based on LAPW where the magnetic field is applied in the
muffin tin only - check out the ELK code for example, it is free.
HTH!
Chris
--
Postdoctoral Researcher
Center for Quantum Nanoscience, Institute for Basic Science
Ewha Womans University, Seoul, South Korea
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Prof Nicola Marzari, Chair of Theory and Simulation of Materials, EPFL
Director, National Centre for Competence in Research NCCR MARVEL, EPFL
http://theossrv1.epfl.ch/Main/Contact http://nccr-marvel.ch/en/project
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