[Pw_forum] Noncolinear calculations

Ricardo Mendes Ribeiro ricardo at fisica.uminho.pt
Tue Apr 9 10:52:56 CEST 2013


Hello

I would like to confirm if the noncolinear calculations that are implemented in
Quantum Espresso are the ones described by Andrea Dal Corso in PRB 82,
075116 (2010),
section II on Relativistic Spin-Density Functional Theory.

In particular, whether only the nonrelativistic limit is implemented
(Pauli equations),
or the spin-orbit , Darwin and mass-velocity terms are also included.

Thank you very much.

--
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Ricardo Mendes Ribeiro
http://hawk.fisica.uminho.pt
Universidade do Minho, Portugal



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