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alm

Community

Software for calculating harmonic and anharmonic interatomic force constants in solids and molecules.

Installation

To install this package, run one of the following:

Conda
$conda install conda-forge::alm

Usage Tracking

2.0.0_dev.2
2.0.0_dev.1
2 / 8 versions selected
Downloads (Last 6 months): 0

Description

ALM can be used for Extraction of harmonic and anharmonic force constants based on the supercell approach. It is applicable to any crystal structure and low-dimensional systems. Features accurate treatment of translational and rotational invariance and Interface to VASP, Quantum-ESPRESSO, and xTAPP.

About

Summary

Software for calculating harmonic and anharmonic interatomic force constants in solids and molecules.

Last Updated

Sep 16, 2020 at 09:53

License

MIT

Total Downloads

321.2K

Version Downloads

255.9K

Supported Platforms

macOS-64
linux-64