Examples

For user's convenience, input files for five examples can be found in the directory 'work/cddf_examples' as follows:

• Febcc-Col_k30x30x30.dat

  Calculation of conductivities and dielectric functions for bcc iron with $30\times 30\times 30$ k-points.

• Mn12.dat

  Calculation of conductivities and dielectric functions for a Mn12 molecular magnet with $1\times 1\times 1$ k-points.

• Si2_k10x10x10.dat

  Calculation of conductivities and dielectric functions for a silicon bulk with $10\times 10\times 10$ k-points.

• Si2_k1xk1xk1.dat

  Calculation of conductivities and dielectric functions for a silicon bulk with $1\times 1\times 1$ k-points.

• VO2R-k16xk16x16.dat

  Calculation of conductivities and dielectric functions for VO2-R phase with $16\times 16\times 16$ k-points.