Releases: JaGeo/IR
Releases · JaGeo/IR
IR
IR Version 1.0.3
Adaption to newest Phonopy version.
IR Version 1.0.2
Python Package to Calculate IR Intensities from the Dipole Approximation with Phonopy and VASP
IR Version 1.0.1
Degeneracy is treated correctly and yaml is included as an output format.
First release
Python Class to Calculate IR spectra in the Dipole Approximation based on Phonopy and VASP calculations
First version of python package to calculate IR
IR spectra can be calculated from the dipole approximation. Phonopy and VASP calculations are required to do so.