[QE-users] [External Email] Re: Error reading attribute index:

[Hari Paudyal]

Hi Paolo,

Thank you for your detailed explanation, I really appreciate it.

Sincerely,
Hari

On Wed, Feb 17, 2021 at 3:47 AM Paolo Giannozzi <p.giannozzi at gmail.com>
wrote:

> On Wed, Feb 17, 2021 at 8:02 AM Hari Paudyal via users <
> users at lists.quantum-espresso.org> wrote:
>
>>
>> Could anyone help to figure out what is missing in my pp (attached:
>> Nb_ONCV_PBE_FR-1.0.upf)
>>
>
> nothing is missing, but one of the "index" attributes has an incorrect
> value:
>
> $ grep -n ' index'  Nb_ONCV_PBE_FR-1.0.upf
> 454:       index="1"
> 614:       index="2"
> 774:       index="3"
> 934:       index="4"
> 1094:       index="5"
> 1254:       index="6"
> 1414:       index="7"
> 1574:       index="8"
> 1734:       index="9"
> 1894:       index="*"
> ...
> It's a format error that is present in some ONCV pseudopotentials
> converted to UPF format, when there are more than 9 projectors. It's not a
> problem because 'index' is read but not used. Previously it wasn't even
> read. If you do not like the warning message, edit the pseudopotential file
> at line 1894
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 206, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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