NBANDSGW: Difference between revisions
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[[Category:INCAR tag]][[Category:Many- | [[Category:INCAR tag]][[Category:Many-body perturbation theory]][[Category:GW]] | ||
Latest revision as of 10:21, 19 July 2022
NBANDSGW = [integer]
Default: NBANDSGW = twice the number of occupied states
Description: The flag determines how many QP energies are calculated and updated in GW type calculations.
This value usually needs to be increased somewhat for partially or fully self-consistent calculations. Very accurate results are only obtained when NBANDSGW approaches NBANDS, although this dramatically increases the computational requirements.