[Pw_forum] norm conserving fully relativistic pseudopotentials needed
Peter Scherpelz
pscherpelz at uchicago.edu
Sat Oct 31 15:51:35 CET 2015
Hi Rajdeep,
You might also look at an earlier message about using ONCV
pseudopotentials for this:
http://qe-forge.org/pipermail/pw_forum/2015-March/106344.html
Either way, make sure to test them carefully. My understanding is that
the NC pseudopotentials in pslibrary are not optimized and tested to the
degree the PAW and US pseudopotentials in that library are.
Best,
Peter
On 10/30/2015 12:54 AM, Rajdeep Banerjee wrote:
> Dear all,
> I have found the required pseudopotentials from the
> PS-library-0.3.1.
>
> thanks,
> Rajdeep
>
> On Fri, Oct 30, 2015 at 9:39 AM, Rajdeep Banerjee
> <rajdeep.jzs at gmail.com <mailto:rajdeep.jzs at gmail.com>> wrote:
>
> Dear all,
> I would be very happy if anyone can direct me to a
> repository with fully relativistic norm-conserving
> pseudopotentials (especially I am looking for Ge, C and F).
>
>
> thanks and regards,
> --
> Rajdeep Banerjee
> PhD student
> JNCASR, Bangalore
> India
>
>
>
>
> --
> Rajdeep Banerjee
> PhD student
> JNCASR, Bangalore
> India
>
>
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