NBANDSGW: Difference between revisions
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This value usually needs to be increased somewhat for partially or fully | This value usually needs to be increased somewhat for partially or fully self-consistent calculations. Very accurate results | ||
are only obtained when {{TAG|NBANDSGW}} approaches {{TAG|NBANDS}}, although this dramatically increases the computational requirements. | are only obtained when {{TAG|NBANDSGW}} approaches {{TAG|NBANDS}}, although this dramatically increases the computational requirements. | ||
== Related | == Related tags and articles == | ||
{{TAG|NBANDS}} | {{TAG|NBANDS}} | ||
{{sc|NBANDSGW|Examples|Examples that use this tag}} | {{sc|NBANDSGW|Examples|Examples that use this tag}} | ||
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[[Category:INCAR]] | [[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]] | ||
Latest revision as of 10:21, 19 July 2022
NBANDSGW = [integer]
Default: NBANDSGW = twice the number of occupied states
Description: The flag determines how many QP energies are calculated and updated in GW type calculations.
This value usually needs to be increased somewhat for partially or fully self-consistent calculations. Very accurate results are only obtained when NBANDSGW approaches NBANDS, although this dramatically increases the computational requirements.