NELMGW: Difference between revisions
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{{TAGDEF|NELMGW|[integer]|1}} | {{TAGDEF|NELMGW|[integer]|1}} | ||
Description: | Description: {{TAG|NELMGW}} sets the number of self-consistent GW steps. | ||
Available as of 6.3.0. | Available as of 6.3.0. | ||
---- | ---- | ||
This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] | This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise. | ||
For instance | For instance | ||
{{TAG|ALGO}} = EVGW0 | {{TAG|ALGO}} = EVGW0 | ||
{{TAG|NELMGW}} = 4 | {{TAG|NELMGW}} = 4 | ||
performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where <math>G</math> is updated four times. | performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where <math>G</math> is updated four times. | ||
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== | |||
{{TAG|ALGO}}, [[GW calculations]] | |||
{{TAG|ALGO}} | |||
{{sc|NELMGW|Examples|Examples that use this tag}} | {{sc|NELMGW|Examples|Examples that use this tag}} | ||
Revision as of 08:52, 29 December 2021
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.