NELMGW: Difference between revisions
No edit summary |
No edit summary |
||
| Line 10: | Line 10: | ||
performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where G is updated four times. | performs a [[GW calculations#gw0| partially self-consistent GW calculations]], where G is updated four times. | ||
All supported ALGO tags are described [[GW calculations|here]]. | All supported ALGO tags are described [[GW calculations|here]]. | ||
Do not set {{TAG|NBANDS}} to select the [[GW calculations#GW_in_one_go|single step GW procedure]]. | |||
This tag can be used in combination with {{TAG|NELM}}. | |||
=== Related Tags and Sections === | === Related Tags and Sections === | ||
Revision as of 12:20, 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.
Do not set NBANDS to select the single step GW procedure.
This tag can be used in combination with NELM.