PADE_FT

Options for the Padé approximant refinement of the Fourier transform. Uses GreenX library to perform the analytic continuation and interpolation of the Fourier transform of dipole moments. The resulting moments are printed into the MOMENTS_FT file. [Edit on GitHub]

Keywords

• E_MAX

• E_MIN

• E_STEP

• FIT_E_MAX

• FIT_E_MIN

Keyword descriptions

E_MAX: real = 1.00000000E+002 [eV]

Maximal energy of the interpolated values. [Edit on GitHub]

E_MIN: real = 0.00000000E+000 [eV]

Minimal energy of the interpolated values. [Edit on GitHub]

E_STEP: real = 2.00000000E-002 [eV]

Energy resolution of the interpolated values. [Edit on GitHub]

FIT_E_MAX: real = -1.00000000E+000 [eV]

Maximum energy to be used in the fitting of Padé approximants. Can be used to restrict the number of Padé parameters. Negative energy is interpreted as maximum available energy from the original Fourier transform. When not present, takes the value of E_MAX. [Edit on GitHub]

FIT_E_MIN: real = 0.00000000E+000 [eV]

Minimum energy to be used in the fitting of Padé approximants. Can be used to restrict the number of Padé parameters. When not present, takes the value of E_MIN. [Edit on GitHub]