rezel

 

is a utility program that analyzes crystal symmetry as specified by space group number and unit cell parameters. It determines the reduced cell and rates the compatibility for all 44 lattice characters.
In addition rezel can test the agreement of the reduced cell with an alternative description of the crystal symmetry, if provided by the user. The best fits with the parameters implicated by the reduced cell are reported.
The parameter values must be given by the user in a text file named REZEL.INP residing in the current directory where rezel is called. The results are collected in the text file REZEL.LP


Example input file REZEL.INP

! Crystal symmetry and cell constants to be analyzed
 SPACE_GROUP_NUMBER= 5 
 UNIT_CELL_CONSTANTS= 94.0 55.5 71.2   90.0 92.4 90.0
! Optional comparison with an alternative crystal description
 TEST_SPACE_GROUP_NUMBER= 19
 TEST_UNIT_CELL_CONSTANTS= 55.0 116.7 117.9  90.0 90.0 90.0

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page last updated: Sep 25, 2022