A16_GPAW_to_SPRKKR_ARPES

Full name: ase2sprkkr.examples.A16_GPAW_to_SPRKKR_ARPES

Description

Workflows connecting ASE-compatible calculators to SPR-KKR.

Modules

gpaw_to_arpes

Relax MoSe2 with GPAW and reuse the ASE structure for SPR-KKR ARPES.