PADE

Defines the parameters for the Padé interpolation of the Fourier transforms used in the output of RTP. Only available with the GreenX library linked to CP2K. [Edit on GitHub]

Keywords

Keyword descriptions

SECTION_PARAMETERS

Type: logical
Default: F
Lone keyword: T

Description: Turns on the Padé interpolation

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E_MAX

Type: real
Default: 2.72113839E+003 [eV]

Description: The maximum energy of the Padé interpolation output.

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

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E_MIN

Type: real
Default: 0.00000000E+000 [eV]

Description: The minimum energy of the Padé interpolation output.

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

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E_STEP

Type: real
Default: 2.00000000E-002 [eV]

Description: The energy resolution of the Padé interpolation output.

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

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FIT_E_MAX

Type: real
Default: -2.72113839E+001 [eV]

Description: The upper boundary in energy for the points used in the fitting of Padé parameters. If negative, uses the value of E_MAX (default).

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

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FIT_E_MIN

Type: real
Default: -2.72113839E+001 [eV]

Description: The lower boundary in energy for the points used in the fitting of Padé parameters. If negative, uses value of E_MIN (default).

Mentions: ⭐Real-Time Bethe-Salpeter Propagation

[Edit on GitHub]