NELMGW

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Revision as of 12:20, 16 October 2024 by Pmelo (talk | contribs)

NELMGW = [integer]
Default: NELMGW = 1 

Description: NELMGW sets the number of self-consistent GW steps, or the number of time steps used during time propagation. Available as of 6.3.0.


This tag is effective for ALGO=EVGW[0] | QPGW[0] | GW[0][R][K] | TIMEEV 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.

When ALGO = TIMEEV, VASP will perform a time-dependent calculation. NELMGW will determine how many time steps will be performed. If it is lower than 100 VASP will use the default value, 20000.

Related tags and articles

ALGO, GW calculations, Construction:Time-evolution

Examples that use this tag