Molecular Dynamics Simulations
– Thermal Conductivity MD & G-K Relation
Monte Carlo Simulations
– Barrier Phonon Energy Conversion
Density Functional Theory
– ABINIT
Input file for the electronic structure calculation in liquid metal GaInSn
– Quantum Espresso
Input files for the anharmonic phonon-phonon lifetimes in Ge.
Program to evaluate Gamma-point phonon lifetimes using Quantum Espresso output
– VASP
INCAR for AIMD in liquid metal GaInSn
– WIEN2K
Input files for the self-consistent field (SCF) calculations in PbTe