LFINITE TEMPERATURE: Difference between revisions
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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}} | ||
This must be used in combination with Fermi smearing, that is {{TAG|ISMEAR}} = -1. | |||
== Related Tags and Sections == | == Related Tags and Sections == | ||
{{TAG|NOMEGA}}, | {{TAG|NOMEGA}}, | ||
{{TAG|NOMEGAPAR}}, | {{TAG|NOMEGAPAR}}, | ||
{{TAG|NTAUPAR}} | {{TAG|NTAUPAR}}, | ||
{{TAG|ISMEAR}} | |||
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[[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:GW]] [[Category:ACFDT]][[Category:Low-scaling GW and RPA]][[Category:VASP6]] | [[Category:INCAR]][[Category:Many-Body Perturbation Theory]] [[Category:GW]] [[Category:ACFDT]][[Category:Low-scaling GW and RPA]][[Category:VASP6]] | ||
Revision as of 19:48, 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]
This must be used in combination with Fermi smearing, that is ISMEAR = -1.
Related Tags and Sections
NOMEGA, NOMEGAPAR, NTAUPAR, ISMEAR