Abstract
A computer program has been written with the aim of calculating powder patterns without the use of crystallographic tables. This has been achieved by deriving all symmetry information such as general equivalent positions from the Hermann-Mauguin space-group symbols, by calculating automatically the multiplicities of special positions and by storing the necessary constants, such as scattering factor tables, anomalous dispersion correction terms and X-ray wavelengths in the program. Owing to the very restricted amount of input data this program is especially suited for users with a limited knowledge of crystallography.
Keywords
Computer programNeutronScatteringSymmetry (geometry)Computer scienceCrystallographySpace (punctuation)DiffractionAnomalous scatteringPhysicsWavelengthComputational physicsOpticsMathematicsGeometryNuclear physicsProgramming languageChemistry
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Publication Info
- Year
- 1977
- Type
- article
- Volume
- 10
- Issue
- 1
- Pages
- 73-74
- Citations
- 2069
- Access
- Closed
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Cite This
K. Yvon,
Wolfgang Jeitschko,
E. Parthé
(1977).
<i>LAZY PULVERIX</i>, a computer program, for calculating X-ray and neutron diffraction powder patterns.
Journal of Applied Crystallography
, 10
(1)
, 73-74.
https://doi.org/10.1107/s0021889877012898
Identifiers
- DOI
- 10.1107/s0021889877012898