Phonopy 1.11.2

Phonopy is an implementation of post-process phonon analyzer, which calculates crystal phonon properties from input information calculated by external codes, e.g., first-principles calculation code. Phonopy employs a real-space method. Phonopy calculates phonon frequencies from force constants. The force constants are obtained from atomic forces when an atom is slightly displaced in supercell (Parlinsk-Li-Kawasoe method).

In practice, phonopy provides automated pre- and post-processes to calculate the phonon properties, where crystal symmetry is fully included. In the pre-process, you can obtain supercells including displacements from your crystal structure.

Using Phonopy you can calculate atomic-forces using the supercells by your favorite calculator (e.g., WIEN2k or VASP). In the post-process, the atomic forces are collected and the phonon properties are calculated.

Force-constants interface is also prepared. If you can calculate force-constants directly, e.g., using DFPT in VASP, you don’t need to calculate atomic-forces, though you need a supercell, anyway.

Selected features are as follows:

Phonon dispersion relation (band structure)
Phonon DOS and partial-DOS
Phonon thermal properties, free energy, heat capacity, and entropy
Thermal expansion and heat capacity at constant pressure within quasi-harmonic approximation (phonopy-qha)

Author Atsushi Togo
License Freeware
Price FREE
Released 2016-10-23
Downloads 309
Filesize 2.7001953125 MB
Requirements
Installation Instal And Uninstall
Keywords phonon analyzer, crystal analyzer, crystal analysis, analyze, crystal, phonon
Users' rating
(0 rating)
Phonopy - Download Notice

Using Phonopy Free Download crack, warez, password, serial numbers, torrent, keygen, registration codes, key generators is illegal and your business could subject you to lawsuits and leave your operating systems without patches. We do not host any torrent files or links of Phonopy on rapidshare.com, depositfiles.com, megaupload.com etc. All Phonopy download links are direct Phonopy full download from publisher site or their selected mirrors.
Avoid: oem software, old version, warez, serial, torrent, Phonopy keygen, crack.
Consider: Phonopy full version, full download, premium download, licensed copy.

Phonopy - The Latest User Reviews

Most popular Mathematics downloads

Stella4D

5.4 download

View polyhedra and 4D polytopes, print nets to build paper polyhedron models.

WinDraw

1.0 download

Software utility for plotting regular or parametric functions

Math Resource Studio

4.4.2 download

A powerful, easy-to-use math worksheet generation program.

Multiplication Game

1.1 download

Free multiplication learning game for kids.

CalculPro

1.2.1 download

CalculPro to practise mental arithmetic’s or fractions.

5 award

3D Geometrical Objects

1.4 download

Represents prisms and pyramids in 3D space. Supports interactive 3D animation.

Yacas

1.6.1 download

YACAS is an easy to use, general purpose Computer Algebra System

Calcul

5.2.WIN32 download

CALCUL to practise mental arithmetic’s or fractions.

Fomdigests

1 download

Program to grep the fom-digests mailing list: Foundations Of Mathematics

Galactic Geometry 3D

1.6 download

Calculate volume and surface area to blast 3D rocks and save your space ship.