The ABINIT Users Mailing List ( CLOSED )

[thanusit@kku.ac.th]

Dear All

In the generation of the KSS file for GW calculation of Ga4P3Ti, I used the  
default value for the input parameter "npwkss" (npwkss=0) so that the number 
of planewave basis is determined by "ecut". This results in a very large npw 
used in the KSS file,i.e npw = 55467 with ecut = 100 H, and thus a large KSS 
file which tends to explode my memory during GW calculations. I wonder if we 
can reduce "npwkss" without affecting the calulated GW corrections. Would it 
be worth running a convergence test of GW corrections with respected to 
"npwkss"? 


Best Regards,
Thanusit Burinprakhon