documentation:file_formats

All numbers must have a dot “.” as a decimal seperator.

The .db files define the optical constants for an optical isotropic material. Each line must have 3 columns with the order

- energy in eV
- delta
- beta

The entries must be separated by a blank or by a tabulated space. A line beginning with an “#” marks a comment.

Example:

#material Arbitraryum #energy delta beta 100 1e-3 1e-3 101 1.1e-3 0.9998e-3 102 1.103e-3 0.9997e-3 . . .

The table can be unsorted. Make sure that you don't include two entries with the same energy. The optical constants between two neighboring energies are calculated via linear interpolation (first order).The program does not take care of any dependence between delta and beta (e. g. Kramers-Kronig-relation). Off-resonance values for this tables can be calculated by the Chantler or Henke tables.

The .m files define the magneto-optical constants for a magnetic material (e. g. xmcd-effect). Each line must have 3 columns with the order

- energy in eV
- deltam
- betam

The entries must be separated by a blank or by a tabulated space. A line beginning with an “#” marks a comment.

Example:

#material Arbitraryum #energy delta beta 100 1e-5 1e-5 101 1.1e-5 0.9998e-5 102 1.103e-5 0.9997e-5 . . .

The table can be unsorted. Make sure that you don't include two entries with the same energy.The optical constants between two neighboring energies are calculated via linear interpolation (first order). The program does not take care of any dependence between deltam and betam (e. g. Kramers-Kronig-relation)

The .e files define the dielectric tensor of a optical anisotropic material. Each line must have 19 columns with the order

- energy in eV
- real part of exx
- imaginary part of exx
- real part of exy
- imaginary part of exy
- real part of exz
- imaginary part of exz
- real part of eyx
- imaginary part of eyx
- real part of eyy
- imaginary part of eyy
- real part of eyz
- imaginary part of eyz
- real part of ezx
- imaginary part of ezx
- real part of ezy
- imaginary part of ezy
- real part of ezz
- imaginary part of ezz

The entries must be separated by a blank or by a tabulated space. A line beginning with an “#” marks a comment.

Example:

#material vacuum #energy exx_real exx_imag ..... 100 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 1000 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 2000 1 0 0 0 0 0 0 0 1 0 0 0 0 0 0 0 1 0 . . .

The table can be unsorted. Make sure that you don't include two entries with the same energy. The optical constants between two neighboring energies are calculated via linear interpolation (first order). The program does not take care of any dependence between the real and imaginary parts (e. g. Kramers-Kronig-relation). Take a look in the pdf file “Terms and Definitions” to see the correlation between .db .m and .e files.

The .ff files define the thomson (charge) scattering amplitude f0 = r0 (-Z + f’ + i f’’) in the form f1 = Z-f’ and f2 = f’’ for an optical isotropic material. Each line must have 3 columns with the order

- energy in eV
- f1
- f2

Example:

#element Arbitraryum #energy f1 f2 100 1e-3 1e-3 101 1.1e-3 0.9998e-3 102 1.103e-3 0.9997e-3 . . .

The table can be unsorted. Make sure that you don't include two entries with the same energy. The scattering factors between two neighboring energies are calculated via linear interpolation (first order). The program does not take care of any dependence between f1 and f2 (e. g. Kramers-Kronig-relation). Off-resonance values for this tables can be taken from NIST (Chantler tables, Henke tables)

The .ffm files define the thomson magnetic part of the (charge) scattering amplitude. for an optical isotropic material. Each line must have 3 columns with the order

- energy in eV
- f1m
- f2m

Example:

#element Arbitraryum #energy f1m f2m 100 1e-6 1e-6 101 1.1e-6 0.9998e-6 102 1.103e-6 0.9997e-6 . . .

The table can be unsorted. Make sure that you don't include two entries with the same energy. The scattering factors between two neighboring energies are calculated via linear interpolation (first order). The program does not take care of any dependence between f1m and f2m (e. g. Kramers-Kronig-relation). Off-resonance values for this tables can be taken from NIST (Chantler tables, Henke tables)

documentation/file_formats.txt · Last modified: 2013/04/03 22:21 (external edit)