Quantum ESPRESSO (QE) phonopy calculation - Blogger This file contains the information of Born effective charge and dielectric constant These physical values are also obtained from the PW (pw x) PH (ph x) codes in Quantum ESPRESSO package
VASP phonopy calculation — Phonopy v. 2. 42. 0 - GitHub Pages This file contains the information of Born effective charge and dielectric constant These physical values are also obtained from the first-principles calculations, e g , by using VASP, pwscf, etc
Thread: [Phonopy-users] BORN file for BaTiO3 (R3m) | phonopy My goal is to compute phonons in BaTiO3 at the Gamma point using the primitive cell in two ways: 1) using Phonopy, and 2) using DFPT in Quantum ESPRESSO Also, I include the nonanalytical term to have the LO-TO splitting
Welcome to phonopy — Phonopy v. 2. 42. 0 - GitHub Pages Phonopy is an open source package for phonon calculations at harmonic and quasi-harmonic levels Phono3py is another open source package for phonon-phonon interaction and lattice thermal conductivity calculations
rbi-mtm phonopy_qe_scripts - GitHub About Some useful scripts for preparing, running and postprocessing Phonopy calculations using Quantum ESPRESSO on a cluster running Slurm