This contains the inputs necessary to reproduce the RQMC band structures in our paper. One starts by calculating the forces on the atoms when they are all randomly displaced (force_calculations
). The resultant forces and displacements are then assembled into a linear regression, subject to the crystal symmetries, to calculate force constants and subsequent phonon properties (phonon_calculations
). The pseudopotentials used are provided in pseudo
, and the primitive cells for the final structures used are provided in structure
; for the supercells, see input files for the calculations.
-
Notifications
You must be signed in to change notification settings - Fork 0
kkly1995/Phonons-in-metallic-hydrogen
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
About
No description, website, or topics provided.
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published