Calculation of X-ray absorption near-edge structure, XANES

Title of program: DLXANES Catalogue Id: AARR_v1_0 Nature of problem To calculate the transition rate for X-ray absorption close to threshold for condensed systems in which the local atomic arrangement may be complex (e.g. crystals with many atoms per unit cell, disordered systems, surfaces, etc.). We are concerned with the so-called X-ray absorption near-edge structure (XANES), within approximately 50 eV of the edge. ADAPTATION SUMMARY: Vol:Year:Page 40:1986:421 "0001 ICXANES" "An update of DLXANES, the calculation of X-ray absorption near-edge structur ... Note: adaptation instructions are contained in source code Versions of this program held in the CPC repository in Mendeley Data AARR_v1_0; DLXANES; 10.1016/0010-4655(82)90035-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2018)