[Pw_forum] Hi

O. Baris Malcioglu baris.malcioglu at gmail.com
Wed Apr 8 15:31:53 CEST 2009


Dear Dimpy,

This information can most simply be accessed looking at the
pseudopotentials themselves (do not be scared, they are ascii files)

Two examples
$>head -40 C.pbe-rrkjus.UPF  |grep pseudopotential
   US                  Ultrasoft pseudopotential

$>head -40 C.blyp-mt.UPF |grep pseudopotential
   NC                  Norm - Conserving pseudopotential

Cheers,
Baris
SISSA CM sector.



On Wed, Apr 8, 2009 at 3:20 PM, Dimpy Sharma <dimpy.sharma at tyndall.ie> wrote:
>
> Hi everybody,
>
> Can anybody please tell me how to recognise whether the input values for DFT
> calculations involve norm conserving pseudopotentials.
>
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