The ABINIT Users Mailing List ( CLOSED )

[Tianshu Li <ts_li@berkeley.edu>]

For the first question, you don't need to specify the plasma frequency as the code will compute it. Sometime it appears in the input file just for the checking purpose.

Tianshu

Xiujun WANG wrote:

<>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