RIXS

References: VazdaCruz2021

Resonant Inelastic Xray Scattering using XAS_TDP and TDDFPT. [Edit on GitHub]

Subsections

• PRINT
• TDDFPT
• XAS_TDP

Keywords

• SECTION_PARAMETERS

• CORE_STATES

• VALENCE_STATES

Keyword descriptions

SECTION_PARAMETERS

Type: logical
Default: F
Lone keyword: T

Description: Controls the activation of the RIXS procedure

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CORE_STATES

Type: integer
Default: -1

Description: Number of core excited states to be used in the RIXS calculation. Restricting this number reduces computational cost. -1 means all available core states will be used.

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VALENCE_STATES

Type: integer
Default: -1

Description: Number of valence excited states to be used in the RIXS calculation. Restricting this number reduces computational cost, but removes spectral features corresponding to higher excitations. Should be used with care. -1 means all available valence states will be used.

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