ENCUTGWSOFT= [real] (energy cutoff for response function)
| Default: | |
| ENCUTGWSOFT=ENCUTGW
|
for ALGO=ACFDT |
| ENCUTGWSOFT=ENCUTGW | else |
The flag allows to truncate the Coulomb kernel slowly between the the energy specified by ENCUTGWSOFT and ENCUTGW. This usually leads to much smoother energy-volume curves in AC-FDT and MP2 calculations. The modified Coulomb kernel is in this case:
for