[QE-users] Missing Hubbard atoms from ATOMIC_POSITIONS card

[Hooman Yaghoobnejad Asl]

Sorry, it was the ordering of atoms! Thanks for the hint.

On Sat, Feb 22, 2020, 5:32 AM Paolo Giannozzi <p.giannozzi at gmail.com> wrote:

> On Fri, Feb 21, 2020 at 8:45 PM Hooman Yaghoobnejad Asl <hynr8 at mst.edu>
> wrote:
>
>
>> "     WARNING! All Hubbard atoms must be listed first in the
>> ATOMIC_POSITIONS card of PWscf
>>      Stopping..."
>> Any hint to show me what I'm doing wrong is highly appreciated.
>>
>
> hint: read the above message. It tells you exactly what you need to do
>
> Paolo
> --
> Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
> Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
> Phone +39-0432-558216, fax +39-0432-558222
>
>
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