NELMGW: Difference between revisions
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Omit {{TAG|NBANDS}} and {{TAG|NELM}} to select the [[GW calculations#GW_in_one_go|single-step GW procedure]]. | Omit {{TAG|NBANDS}} and {{TAG|NELM}} to select the [[GW calculations#GW_in_one_go|single-step GW procedure]]. | ||
== Related tags and articles== | == Related tags and articles== | ||
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[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW | [[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]] | ||
Latest revision as of 12:23, 16 October 2024
NELMGW = [integer]
Default: NELMGW = 1
Description: NELMGW sets the number of self-consistent GW steps. Available as of 6.3.0.
This tag is effective for ALGO=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise. For instance
ALGO = EVGW0 NELMGW = 4
performs a partially self-consistent GW calculations, where is updated four times.
Omit NBANDS and NELM to select the single-step GW procedure.