This will save the Phonopy parameters, including displacements and force constants, to NaCl-params.yml, and the calculated band structure to NaCl-auto-band.yml, in addition to generating a log file, phonons.log, and summary of inputs, phonons_summary.yml.
However, when I run this command get NaCl-phonopy.yml and NaCl-force_constants.hdf5 instead of NaCl-params.yml and NaCl-auto-band.yml.
This will create additional output files: NaCl-cv.dat for the thermal properties (heat capacity, entropy, and free energy) between 0K and 300K, NaCl-dos.dat for the DOS, and NaCl-pdos.dat for the PDOS.
The current README lists this command and set of output files
However, when I run this command get
NaCl-phonopy.yml
andNaCl-force_constants.hdf5
instead ofNaCl-params.yml
andNaCl-auto-band.yml
.Similarly for the second example:
I get
NaCl-thermal.dat
instead ofNaCl-cv.dat