phonon-calculation
There are 6 repositories under phonon-calculation topic.
zhangzeyingvv/PhononIrep
A phonon irreducible representations calculator
drinwater/Nudged-Elastic-Band-Tutorial
A simple walkthrough and template for NEB runs on VASP.
JaGeo/AtomicContributions
Vizualisation of Atomic Contributions to Phonon Modes
JuliaMatSci/ADIP2.jl
Automatic Differentiation of Interatomic Potentials with Phonons in Julia: ADIP².jl
simantalahkar/poly-tr-mechanism
This repository contains the LAMMPS and python scripts created from the ground-up, along with the most important data, to conduct a thorough analysis of the Thermal Rectification (TR) in semi-stochastically generated atomistic models of polycrystalline graphene with graded grain size variation - using Molecular Dynamics & mapping of phonon modes.
genchik1/Phonon-spectrum-of-graphene-in-Lammps
:snowflake: Phonon spectrum of graphene and a new quasi-two-dimensional structure in LAMMPS