[QE-users] running error (cannot read atomic specie from: ATOMIC_POSITIONS angstrom)

Paolo Giannozzi p.giannozzi at gmail.com
Thu Mar 14 07:38:20 CET 2019


On Thu, Mar 14, 2019 at 4:56 AM Haider Abbas <haiderabbasphy at gmail.com>
wrote:

>
> Error in routine  card_atomic_species (5010):
>      cannot read atomic specie from: ATOMIC_POSITIONS  angstrom
>

you should have "ntyp" atomic species in the ATOMIC_SPECIES card, but you
have less than that

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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