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:VASP6]][[Category:Low-scaling GW and RPA]]
[[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.


Related tags and articles

ALGO, GW calculations

Examples that use this tag