GW calculation- ALGO=exact
Posted: Fri Aug 02, 2013 6:20 pm
Hi All,
Is it possible to use ALGO=Conjugate instead of ALGO=Fast prior to GW calculation? As I checked for bulk silicon(with moderate number of kpoints), there is no significant difference in band gap size Gamma point using either of this methods.
For our case of study using ALGO=Exact seems not feasible due to extremely high memory demand(~2.5 TB)
I would appreciate for any suggestions.
best
Is it possible to use ALGO=Conjugate instead of ALGO=Fast prior to GW calculation? As I checked for bulk silicon(with moderate number of kpoints), there is no significant difference in band gap size Gamma point using either of this methods.
For our case of study using ALGO=Exact seems not feasible due to extremely high memory demand(~2.5 TB)
I would appreciate for any suggestions.
best