Premium
A computer program to derive (3+1)‐dimensional symmetry operations from two‐line symbols
Author(s) -
Fu Z.Q.,
Fan H.F.
Publication year - 1997
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/s0021889896006711
Subject(s) - symmetry (geometry) , computer program , line (geometry) , space (punctuation) , set (abstract data type) , group (periodic table) , physics , computer science , mathematics , combinatorics , geometry , quantum mechanics , programming language , operating system
A computer program has been written for the derivation of (3 + 1)‐dimensional symmetry operations from the two‐line symbols. The derivation is based on the concept of generators {[ Γ ( R v E ), ɛ v , s v , τ v , q )| v = 1, NG}, in which {[ Γ ( R v E ), s v )| v = 1, NG} denotes the set of generators of the basic space group represented by the upper line. The program, called SPGR4D , is written in Fortran77 and based on the program by Burzlaff & Hountas (1982). [ J. Appl. Cryst. (1982), 15 , 464–467] for the derivation of symmetry operations in three‐dimensional space. SPGR4D has been incorporated into a new version of the direct‐methods program DIMS for solving incommensurate modulated crystal structures.