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
non local part of the pseudo potential ..
Moderators: maryam.azizi, bruneval
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lucamontana
- Posts: 14
- Joined: Tue Mar 15, 2016 3:09 am
Re: non local part of the pseudo potential ..
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
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
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lucamontana
- Posts: 14
- Joined: Tue Mar 15, 2016 3:09 am
Re: non local part of the pseudo potential ..
Dear Matteo,
many thanks.
Will abinit8 be realeased soon ?
Bests
L.
many thanks.
Will abinit8 be realeased soon ?
Bests
L.