NELMGW: Difference between revisions
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All supported ALGO tags are described [[GW calculations|here]]. | All supported ALGO tags are described [[GW calculations|here]]. | ||
Omit {{TAG|NBANDS}} and {{TAG|NELM}} to select the [[GW calculations#GW_in_one_go|single step GW procedure]]. | |||
=== Related Tags and Sections === | === Related Tags and Sections === | ||
Revision as of 12:25, 22 November 2021
NELMGW = [integer]
Default: NELMGW = 1
Description: Controls 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
NELMGW = 4 and ALGO = EVGW0
performs a partially self-consistent GW calculations, where G is updated four times. All supported ALGO tags are described here.
Omit NBANDS and NELM to select the single step GW procedure.