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| <math> \vec{k} = \vec{b}_{1} \frac{n_{1}}{N_{1}} + \vec{b}_{2} \frac{n_{2}}{N_{2}} + \vec{b}_{3} \frac{n_{3}}{N_{3}} ,\qquad n_1=0...,N_1-1 \quad n_2=0...,N_2-1 \quad n_3=0...,N_3-1. </math> | | <math> \vec{k} = \vec{b}_{1} \frac{n_{1}}{N_{1}} + \vec{b}_{2} \frac{n_{2}}{N_{2}} + \vec{b}_{3} \frac{n_{3}}{N_{3}} ,\qquad n_1=0...,N_1-1 \quad n_2=0...,N_2-1 \quad n_3=0...,N_3-1. </math> |
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| == Related Tags and Sections == | | == Related tags and articles == |
| {{TAG|EVENONLYGW}}, | | {{TAG|EVENONLYGW}}, |
| {{TAG|GW calculations}} | | {{TAG|GW calculations}} |
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| [[Category:INCAR]][[Category:Many-Body Perturbation Theory]][[Category:GW]] | | [[Category:INCAR tag]][[Category:Many-Body Perturbation Theory]][[Category:GW]] |
Revision as of 14:52, 8 April 2022
ODDONLYGW = [logical]
Default: ODDONLYGW = .FALSE.
Description: ODDONLYGW allows to avoid the inclusion of the point in the evaluation of response functions (in GW calculations).
The independent particle polarizability is given by:
If the point is included in the summation over , convergence is very slow for some materials (e.g. GaAs).
To deal with this problem the flag ODDONLYGW has been included.
In the automatic mode, the -grid is given by (see Sec. \ref{sec:autok}):
Related tags and articles
EVENONLYGW,
GW calculations
Examples that use this tag