The json files of Petretto et al. ph_dos on 1521 compounds [Scientific Data
2018] seem to have x having cm^{-1} for Frequency, and 1/eV for the phonon density of states.
Search found 2 matches
- Wed Feb 20, 2019 11:16 am
- Forum: Response calculations
- Topic: IFC and unit of freq in PHDOS
- Replies: 3
- Views: 3947
- Wed Feb 13, 2019 11:41 am
- Forum: Response calculations
- Topic: IFC and unit of freq in PHDOS
- Replies: 3
- Views: 3947
IFC and unit of freq in PHDOS
i would to get the IFC in ifcinfo.out so that I can analyse IFC myself. With !Input file for the anaddb code. Analysis of the SiO2 DDB !Flags ifcflag 1 ! Interatomic force constant flag ifcout -1 thmflag 1 ! Thermodynamical properties flag enunit 2 !Wavevector grid number 1 (coarse grid, from DDB) b...