LFINITE TEMPERATURE: Difference between revisions
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{{DISPLAYTITLE:LFINITE_TEMPERATURE}} | |||
{{TAGDEF|LFINITE_TEMPERATURE|[logical]|.FALSE.}} | {{TAGDEF|LFINITE_TEMPERATURE|[logical]|.FALSE.}} | ||
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{{NB|warning|Can only be used in combination with Fermi smearing {{TAG|ISMEAR}} {{=}} -1.}} | {{NB|warning|Can only be used in combination with Fermi smearing {{TAG|ISMEAR}} {{=}} -1.}} | ||
== Related | == Related tags and articles == | ||
{{TAG|NOMEGA}}, | {{TAG|NOMEGA}}, | ||
{{TAG|NOMEGAPAR}}, | {{TAG|NOMEGAPAR}}, | ||
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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 tags]][[Category:Many-Body Perturbation Theory]] [[Category:GW]] [[Category:ACFDT]][[Category:Low-scaling GW and RPA]][[Category:VASP6]] | ||
Revision as of 16:48, 6 April 2022
LFINITE_TEMPERATURE = [logical]
Default: LFINITE_TEMPERATURE = .FALSE.
Description: LFINITE_TEMPERATURE switches on the finite-temperature formalism of many-body perturbation theory for adiabatic-connection-fluctuation-dissipation-theorem (ACFDT)/GW calculations.
This feature is available as of VASP.6.1.0 for ACFDT/random-phase-approximation (RPA), i.e., ALGO=ACFDT, ACFDTR, ACFDTRK, and low-scaling GW calculations, i.e., ALGO=G0W0R, G0W0RK. For LFINITE_TEMPERATURE=.TRUE., a compressed Matsubara-frequency grid is used (instead of the zero-temperature formalism of many-body perturbation theory). This allows for GW and RPA calculations for metallic systems [1].
| Warning: Can only be used in combination with Fermi smearing ISMEAR = -1. |
Related tags and articles
NOMEGA, NOMEGAPAR, NTAUPAR, ISMEAR