The ABINIT Users Mailing List ( CLOSED )

["Xiujun WANG" <xjwangcn@scut.edu.cn>]

Dear All,

I would like to do a GWA calculation.
I finished Tutorial lesson 6. But I have two questions:

1. The imaginary frequency where to calculate the screening is omega = 16.7 
eV. 
For other system. how can I get this value?

2. The Hartwigsen-Goedecker-Hutter pseudopotentials couldn't work in GWA 
calculation.
From old mailing list on 24 Jun 2005, Gian-Marco suggest that we can use 
(kssform=3) 
and (nband>=nbandkss) to solve this problem. I used (nband=200, 
nbandkss=100), but I failed.
The error message is:
"
Variable mpspso should be 1 !!
  Program does not stop but _KSS file will not be created...
" 
Can anyone give some suggestion?

Best regards,

Xiujun WANG