Open AccessImplementation of non-collinear spin-constrained DFT calculations in SIESTA with a fully relativistic Hamiltonian
Author(s) -
R. Cuadrado,
Miguel Pruneda,
Alberto Garcı́a,
Pablo Ordejón
Publication year - 2018
Publication title -
jphys materials
Language(s) - English
Resource type - Journals
ISSN - 2515-7639
DOI - 10.1088/2515-7639/aae7db
Subject(s) - physics , diagonal , hamiltonian (control theory) , ferromagnetism , density functional theory , spintronics , siesta (computer program) , quantum mechanics , magnetization , condensed matter physics , magnetic field , ab initio quantum chemistry methods , mathematics , geometry , mathematical optimization , molecule