NELMGW: Difference between revisions

Latest revision as of 12:23, 16 October 2024

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 [math]\displaystyle{ G }[/math] is updated four times.

@@ Line 1: / Line 1: @@
 {{TAGDEF|NELMGW|[integer]|1}}
-Description: {{TAG|NELMGW}} sets the number of self-consistent GW steps, or the number of time steps used during time propagation.
+Description: {{TAG|NELMGW}} sets the number of self-consistent GW steps.
 Available as of 6.3.0.
 ----
-This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] | TIMEEV and ignored otherwise.
+This tag is effective for {{TAG|ALGO}}=EVGW[0] | QPGW[0] | GW[0][R][K] and ignored otherwise.
 For instance
   {{TAG|ALGO}} = EVGW0
@@ Line 13: / Line 13: @@
 Omit {{TAG|NBANDS}} and {{TAG|NELM}} to select the [[GW calculations#GW_in_one_go|single-step GW procedure]].
-When {{TAG|ALGO}} = TIMEEV, VASP will perform a [[Construction:Time-evolution|time-dependent]] calculation. {{TAG|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==
-{{TAG|ALGO}}, [[GW calculations]], [[Construction:Time-evolution]]
+{{TAG|ALGO}}, [[GW calculations]]
 {{sc|NELMGW|Examples|Examples that use this tag}}
@@ Line 22: / Line 21: @@
-[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]][[Category:Linear response]]
+[[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]][[Category:Low-scaling GW and RPA]]