der Waals corrections, so proceed
| with caution. I tried this a year or two ago and ran into problems.
|
| Best of luck,
|
| Danny Bennett
|
|
| From: siesta-l-requ...@uam.es on behalf of Bejoy
| Sikder
| Sent: 05 February 2022 14:17
| To: siesta-l@uam.es
| Subject: [SIESTA-L] Fully Re
qu...@uam.es on behalf of
> Bejoy Sikder
> *Sent:* 05 February 2022 14:17
> *To:* siesta-l@uam.es
> *Subject:* [SIESTA-L] Fully Relativistic Psuedopotential for SIESTA
>
> Hello,
>
> I'm currently working on the DFT calculation of 2D bilayer materials with
> SIESTA
tried this a year or two ago and ran into problems.
Best of luck,
Danny Bennett
From: siesta-l-requ...@uam.es on behalf of Bejoy
Sikder
Sent: 05 February 2022 14:17
To: siesta-l@uam.es
Subject: [SIESTA-L] Fully Relativistic Psuedopotential for SIESTA
Hello,
I
Hello,
I'm currently working on the DFT calculation of 2D bilayer materials with
SIESTA. I need to include Spin-Orbit coupling in my calculation. But I am
unable to find any fully relativistic pseudopotential available for SIESTA.
Is there any pseudopotential vault for a fully relativistic .psf f
