[Pw_forum] Format specification of UPF version 1
merlin.meheut at get.obs-mip.fr
Tue Apr 8 09:32:01 CEST 2014
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
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!
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
More information about the users