Version | Change log |
Phonopy 1.11.2 Oct 23, 2016 |
TDISPMAT_CIF (--tdm_cif) for CIF output for thermal displacement is added (TDISPMAT_CIF). spglib update to v1.9.7 FPITCH (--fpicth) is made (FMIN, FMAX, and FPITCH). Minor update of gruneisen. Tentatively phonopy.yaml and phonopy_disp.yaml are written when running phonopy. In Phonopy-API, from this version, to create displacements in supercells internally the phonopy object, the generate_displacements method has to be called explicitely along with the distance argument. See Phonopy API for Python. |