NELMGW: Difference between revisions
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This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] | and ignored otherwise. | This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] | and ignored otherwise. | ||
For instance | For instance | ||
NELMGW = 4 | {{TAG|ALGO}} = EVGW0 | ||
performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where G is updated four times. | {{TAG|NELMGW}} = 4 | ||
All supported ALGO tags are described [[GW calculations|here]]. | performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where <math>G</math> is updated four times. | ||
All supported {{TAG|ALGO}} tags related to <math>GW</math> calculations are described [[GW calculations|here]]. | |||
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]]. | ||
Revision as of 11:05, 20 December 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
ALGO = EVGW0 NELMGW = 4
performs a partially self-consistent GW calculations, where is updated four times. All supported ALGO tags related to calculations are described here.
Omit NBANDS and NELM to select the single-step GW procedure.