examples

Full name: ase2sprkkr.examples

Description

Examples of the usage of ase2sprkkr. See the sumodules of the package.

Modules

A01_Fe_scf_simple

A02_Fe_scf_input_modifications

A03_Fe_dos

A04_CPA_Example

A05_Al_EOS

A06_Cu_MSSPEC

A07_SrTiO3_MSSPEC

A08_ARPES_and_plotting

A09_EmptySpheres

A10_DLM

A11_Torque

A12_JXC

A13_XAS

A14_Semiinfinite

Semi-infinite surface examples.

A15_Ni2FeGa_CPA_scan

Composition-dependent CPA workflows.

A16_GPAW_to_SPRKKR_ARPES

Workflows connecting ASE-compatible calculators to SPR-KKR.

A17_Au_ARPES

Realistic one-step photoemission examples.

A18_Ni2FeGa_JXC

Exchange-coupling and spin-dynamics workflows.