wignerseitz.f90 File Reference

Provides a Wigner-Seitz cell. More...

Data Types
type	tblite_wignerseitz::wignerseitz_cell
	Information on Wigner-Seitz images. More...

Modules
module	tblite_wignerseitz
	Implementation of finding the relevant nearest neighbours in a Wigner-Seitz cell.

Functions/Subroutines
subroutine, public	tblite_wignerseitz::new_wignerseitz_cell (self, mol)

Variables
real(wp), parameter	tblite_wignerseitz::thr = sqrt(epsilon(0.0_wp))
	Small cutoff threshold to create only closest cells.

Detailed Description

Provides a Wigner-Seitz cell.