A program for the calculation of x-ray reflection intensities

Published: 1 January 1973| Version 1 | DOI: 10.17632/8m539vxbwx.1
I.F. Ferguson, J.E. Kirwan


Abstract Title of program: FIREFLY II Catalogue number: AAQB Program obtainable from: CPC Program Library, Queen's University of Belfast, N. Ireland (see application form in this issue) Computer: ICL 4–70;Installation: U.K.A.E.A., Risley, U.K. Operating system: 7J Programming language used: FORTRAN IV High speed storage required: 138K bytes. No. of bits in a byte: 8 Is the program overlaid? No No. of magnetic tapes required: 1 What other peripherals are used? Card-reader, line-printer No. of cards in ... Title of program: FIREFLY II Catalogue Id: AAQB_v1_0 Nature of problem The program, FIREFLY II, calculates the intensities of X-ray reflections with special reference to the powder method. The program is very flexible and allows the intensity of reflections with given Miller indices to be calculated if the unit cell and its contents are specified together with the equipment used and, if necessary, temperature and absorption factors. Provision is made for the comparison of observed and calculated data. Versions of this program held in the CPC repository in Mendeley Data AAQB_v1_0; FIREFLY II; 10.1016/0010-4655(73)90061-1 AAQB_v2_0; FIREFLY IV; 10.1016/0010-4655(75)90089-2 This program has been imported from the CPC Program Library held at Queen's University Belfast (1969-2019)



Crystallography, Computational Physics