LFINITE TEMPERATURE: Difference between revisions
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Description: {{TAG|LFINITE_TEMPERATURE}} determines whether the finite- or or zero-temperature formalism of many-body perturbation theory is used for ACFDT/GW calculations. | Description: {{TAG|LFINITE_TEMPERATURE}} determines whether the finite- or or zero-temperature formalism of many-body perturbation theory is used for ACFDT/GW calculations. | ||
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This feature is available as of VASP.6.1.0 for ACFDT/RPA ({{TAGBL|ALGO}}=ACFDT[R|RK]) and low-scaling GW calculations (e.g. {{TAGBL|ALGO}}=G0W0R[K]). For {{TAGBL|LFINITE_TEMPERATURE}}=.TRUE., a compressed Matsubara frequency grid is used and allows for GW and RPA calculations for metallic systems.{{cite|Kaltak:PRB:2020}} | This feature is available as of VASP.6.1.0 for ACFDT/RPA ({{TAGBL|ALGO}}=ACFDT[R|RK]) and low-scaling [[GW calculations]] (e.g. {{TAGBL|ALGO}}=G0W0R[K]). For {{TAGBL|LFINITE_TEMPERATURE}}=.TRUE., a compressed Matsubara frequency grid is used and allows for GW and RPA calculations for metallic systems.{{cite|Kaltak:PRB:2020}} | ||
== Related Tags and Sections == | == Related Tags and Sections == | ||
Revision as of 17:40, 22 November 2021
LFINITE_TEMPERATURE = [logical]
Default: LFINITE_TEMPERATURE = .FALSE.
Description: LFINITE_TEMPERATURE determines whether the finite- or or zero-temperature formalism of many-body perturbation theory is used for ACFDT/GW calculations.
This feature is available as of VASP.6.1.0 for ACFDT/RPA (ALGO=ACFDT[R|RK]) and low-scaling GW calculations (e.g. ALGO=G0W0R[K]). For LFINITE_TEMPERATURE=.TRUE., a compressed Matsubara frequency grid is used and allows for GW and RPA calculations for metallic systems.[1]