NBANDSGW

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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.

Related tags and articles

NBANDS

Examples that use this tag