Sorry, it was the ordering of atoms! Thanks for the hint. On Sat, Feb 22, 2020, 5:32 AM Paolo Giannozzi <[email protected]> wrote:
> On Fri, Feb 21, 2020 at 8:45 PM Hooman Yaghoobnejad Asl <[email protected]> > 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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