recalculate W for EVGW0?
Posted: Fri Jan 17, 2025 2:20 pm
Hello,
I was wondering why for EVGW0 calculations (NELMGW>1), the W would be recalculated for each GW step, as evidenced by the time stamp of the output WFULL* files? My input is as follows:
Code: Select all
ENCUT = 500 eV
PREC = N
LREAL = FALSE
GGA = PE
ISMEAR = 0
SIGMA = 0.05
EDIFF = 1.e-8
NBANDS = 1024
ALGO = EVGW0
NELMGW = 4
ENCUTGW = 250
PRECFOCK = Fast
NOMEGA = 128
NBANDSGW = 1024
I noticed that for every GW step, the W matrices would be recalculated and printed out, which wastes a lot of time.
Best,
Xiaoming Wang