ABINIT Discussion Forums

Posted: **Tue Mar 15, 2016 3:12 am**

Dear all,
Is there any way of disabling non-local part of the pseudo potential in the calculation of screening ?
I would like to jump this term : limit q->0, including term <n,k|[Vnl,iqr]|n"k> .

Bests
LUCA

Posted: **Wed Mar 16, 2016 12:04 am**

Use inclvkb = 0

The documentation mentions it. Note that inclvkb = 2 is much faster than inclvkb = 1 (the default value in Abint 7.x)
In Abinit8, inclvkb defaults to 2

Posted: **Wed Mar 16, 2016 5:36 am**

Dear Matteo,

many thanks.
Will abinit8 be realeased soon ?

Bests
L.

ABINIT Discussion Forums

non local part of the pseudo potential ..

non local part of the pseudo potential ..

Re: non local part of the pseudo potential ..

Re: non local part of the pseudo potential ..