horace-euphonic-interface

Version 1.1.0.0 (83.4 KB) by Euphonic
Interface to a Python code (Euphonic) to calculate phonon spectra from ab initio code outputs.
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Updated 16 Feb 2023
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This is a simple interface to allow simulation of inelastic neutron scattering data from phonons in Horace using Euphonic. This is done using Horace simulation functions. See the docs at https://horace-euphonic-interface.readthedocs.io/en/stable for more information.

Cite As

Fair R.L., Farmer J.L., Jackson A.J., King J.C., Le M.D., Perring T.G., Pettitt C., Refson K., Tucker G.S., Voneshen D.J., Euphonic, DOI: https://doi.org/10.5286/SOFTWARE/EUPHONIC URL: https://github.com/pace-neutrons/Euphonic

Fair, Rebecca, et al. “\Lessi\GreaterEuphonic\Less/i\Greater: Inelastic Neutron Scattering Simulations from Force Constants and Visualization Tools for Phonon Properties.” Journal of Applied Crystallography, vol. 55, no. 6, International Union of Crystallography (IUCr), Nov. 2022, pp. 1689–703, doi:10.1107/s1600576722009256.

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Created with R2022b
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Version Published Release Notes
1.1.0.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v1.1.0
1.0.0

0.3.3.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.3.3
0.3.2.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.3.2
0.3.1.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.3.1
0.3.0.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.3.0
0.2.2.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.2.2
0.2.1.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.2.1
0.2.0.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.2.0
0.1.0.0

See release notes for this release on GitHub: https://github.com/pace-neutrons/horace-euphonic-interface/releases/tag/v0.1.0
To view or report issues in this GitHub add-on, visit the GitHub Repository.
To view or report issues in this GitHub add-on, visit the GitHub Repository.