First-principles calculation of X-ray dichroic spectra within the full-potential linearized augmented planewave method: An implementation into the Wien2k code

Computer Physics Communications

Volumn 183, Issue 3, 2012, Pages 628-636

  Pardini, Lorenzo ^a,b   Bellini, Valerio ^a   Manghi, Franca ^a,c   Ambrosch Draxl, Claudia ^b  

^a CNR   (Italy)

^b UNIVERSITY OF LEOBEN   (Austria)

^c UNIVERSITY OF MODENA AND REGGIO EMILIA   (Italy)

Author keywords

DFT; First principles; Full potential LAPW; Wien2k; XMCD

Indexed keywords

DFT; FIRST-PRINCIPLES; FULL-POTENTIAL LAPW; WIEN2K; XMCD;

CODES (SYMBOLS); DENSITY FUNCTIONAL THEORY; LIGHT POLARIZATION; MAGNETIC MATERIALS; POLARIZATION; TOOLS; X RAY ABSORPTION;

CALCULATIONS;

EID: 84855437435     PISSN: 00104655     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.cpc.2011.12.010     Document Type: Article

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