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MINREF – a new computer program for neutron refinement of incommensurate multiphase nuclear and magnetic structures
Author(s) -
Elsenhans O.
Publication year - 1990
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889889011386
Subject(s) - fortran , computer program , modular design , neutron diffraction , neutron , crystallography , computer science , computational science , materials science , crystal structure , physics , nuclear physics , programming language , chemistry
A new computer program MINREF has been developed for the refinement of neutron powder diffraction patterns as well as single‐crystal data corresponding to incommensurate structures. The program is written in VAX Fortran 77 and is of modular construction. The program allows user‐desired modifications and permits in the present version simultaneous refinement of the structures of three phases: one commensurate and two incommensurate.