Compatibility of DFT+U with non-collinear magnetism and spin-orbit coupling within a framework of numerical atomic orbitals

Article

Computer Physics Communications, 2023, 286, 108684

 Authorship: FERNANDO GOMEZ ORTIZ, NAYARA CARRAL SAINZ, JAMES SIFUNA, VIRGINIA MONTESEGURO PADRON, RAMÓN CUADRADO, PABLO GARCIA FERNANDEZ, FRANCISCO JAVIER JUNQUERA QUINTANA

 01/05/2023

SPANISH INITIATIVE FOR ELECTRONIC SIMULATIONS WITH THOUSANDS OF ATOMS: CODIGO ABIERTO CON GARANTIA Y SOPORTE PROFESIONAL: SIESTA-PRO (RTC-2016-5681-7) (AEI/FEDER, UE)

 Física Teórica De La Materia Condensada

 DEPARTAMENTO DE CIENCIAS DE LA TIERRA Y FÍSICA DE LA MATERIA CONDENSADA

Head: FRANCISCO JAVIER JUNQUERA QUINTANA

Typology: Competitive national public projects

Start year: 2016