[Pw_forum] Format specification of UPF version 1

[Merlin Meheut]

On 15/07/2013 11:20, Paolo Giannozzi wrote:
> On Mon, 2013-07-15 at 17:45 +0900, H. Lee wrote:
>
>> BTW, why don't you recommend the UPF v.1 format in constructing
>> pseudopotentials? Is there any specific reason?
> because there is a new format (not much better than the previous
> one, though). If we keep generating pseudopotentials in old
> format, the old format will be around forever
>
> P.
>
Dear PWSCF users,

I would like to write that I generated pseudopotentials in UPFv1 format 
using the atomic software. Is there a reference to cite for the atomic 
code and for UPF format? Right now, it looks like this:

"these pseudopotentials were generated using the atomic software (ref?) 
in the 'Unified Pseudopotential Format' (UPF) (ref?). "

Do you have any idea how to do that?


Thanks in advance for your help!

Merlin Méheut

PS: I have used UPF v1 pseudopotentials for their ability to be read by 
both CPMD and quantum espresso codes. Unfortunately, UPF v2 do not seem 
readable by CPMD, to my knowledge.



-- 
Merlin Méheut, Géosciences et Environnement Toulouse,
OMP, 14 avenue Edouard Belin, 31400 Toulouse, France

phone +33 (0)5 61 33 26 17, fax +33 (0)5 61 33 25 60