Programs in Physics & Physical Chemistry
|[Licence| Download | New Version Template] aets_v1_0.tar.gz(9534 Kbytes)|
|Manuscript Title: YPHON: A Package for Calculating Phonons of Polar Materials|
|Authors: Yi Wang, Long-Qing Chen, Zi-Kui Liu|
|Program title: YPHON|
|Catalogue identifier: AETS_v1_0|
Distribution format: tar.gz
|Journal reference: Comput. Phys. Commun. 185(2014)2950|
|Programming language: C++, Linux scripts.|
|Computer: Linux systems with a g++ or C++ compiler.|
|Operating system: Linux.|
|RAM: Ranges from a few Mbytes to a few Gbytes, dynamically depending on the system size.|
|Keywords: Phonon, Lattice dynamics, Mixed-space approach, Polar material, Dipole-dipole interaction, C++.|
|PACS: 63.2.D-, 63.20.dk.|
External routines: GSL - the GNU Scientific Library (GSL) is a numerical library for C and C++ programmers. VASP.5 or later for the calculations of force constants and dielectric constants and Born effective charge for polar materials.
Nature of problem:
This package has the purpose of computing accurately phonon properties of polar materials within the small displacement approach.
Mixed-space approach to the vibration-induced dipole-dipole interaction.
In the scale of a common Linux command.
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