Phonopy

Version: 1.11.2 | Size: 2.70 MB

Top Download Club | Education | Mathematics | Phonopy

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Top Download Club brings you the latest and greatest in software, including Phonopy developed by Atsushi Togo. Phonopy is a must-have for material scientists and solid-state physicists alike. With its powerful features and user-friendly interface, you can easily analyze phonon properties and simulate thermal conductivities.

The software's algorithms make it easy to calculate phonon dispersions, thermodynamic properties, and phonon-phonon scattering rates. The program also allows for the customization of supercell geometries, unit cells, and symmetry operations, making it incredibly versatile for a wide range of applications.

One of the best things about Phonopy is its ability to handle large and complex systems with ease. With up to thousands of atoms, this program can accurately simulate the thermal properties of a wide range of materials. The software's impressive speed and accuracy make it a favorite among researchers and scientists around the world.

Overall, Phonopy is an essential tool for anyone working with materials and thermal properties. The program's intuitive interface makes it easy to use, while its powerful features and algorithms make it one of the most effective tools of its kind. Get your hands on Phonopy today and see for yourself why it is the go-to software for material science and solid-state physics.

Keywords:

open-source, crystal analysis, Phonopy, materials science, crystal analyzer, vibrational properties, Atsushi Togo, crystal, harmonic calculations, phonon analyzer, phonon, analyze

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User Rating: 4.8 (60 votes)

Currently 4.80/5
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Licence:
Freeware

Price:
FREE

File size:
2.70 MB

Last update:
Oct 23, 2016

OS:
Mac OS X

Last version:
1.11.2

Downloads:
36

Developer
Atsushi Togo
http://phonopy.sourceforge.net/

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Version	Change log
Phonopy 1.11.2 Oct 23, 2016	TDISPMAT_CIF (--tdm_cif) for CIF output for thermal displacement is added (TDISPMAT_CIF). spglib update to v1.9.7 FPITCH (--fpicth) is made (FMIN, FMAX, and FPITCH). Minor update of gruneisen. Tentatively phonopy.yaml and phonopy_disp.yaml are written when running phonopy. In Phonopy-API, from this version, to create displacements in supercells internally the phonopy object, the generate_displacements method has to be called explicitely along with the distance argument. See Phonopy API for Python.