Some examples of ase2sprkkr
A1_Fe_scf_simple
Simple SCF calculation for bcc Fe. [show source]
A2_Fe_scf_input_modifications
Demonstration how to chage input SPRKKR file. [show source]
A3_Fe_dos
SCF calculation for Fe using kkrscf and consequent DOS by kkrgen. [show source]
A4_CPA_Example
Ni Doped SrTiO3 as calculated by the CPA method. This example demonstrate partial occupations. [show source]
A5_Al_EOS
Total energy SCF calculations as a function of Volume and corresponding equation of state fiting. [show source]
A6_Cu_MSSPEC
Simple SCF calculations for fcc Cu in combination with msspec code to generate photoelectron diffraction. [show source]
A7_SrTiO3_MSSPEC
SCF calculations for SrTiO3 in combination with msspec code to generate photoelectron diffraction. [show source]
A8_ARPES_and_plotting
Example of an ARPES calculation and plotting its results. [show source]