Great. Thanks Paolo. Vahid
> On Oct 27, 2024, at 1:40 PM, Paolo Giannozzi <[email protected]> wrote: > > CAUTION: The Sender of this email is not from within Dalhousie. > > On 26/10/2024 19:01, Vahid Askarpour wrote: > >> The cube file has the following first few lines: >> [...] >> The charge zed=19 for K and 35 for Br but here, Br atoms are not read and >> their charge is zero. >> >> Is this a bug or an error on my part? > > a bug, fixed meanwhile: https://gitlab.com/QEF/q-e/-/merge_requests/2366 > > Paolo > -- > Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, > Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216 > _______________________________________________ The Quantum ESPRESSO community stands by the Ukrainian people and expresses its concerns about the devastating effects that the Russian military offensive has on their country and on the free and peaceful scientific, cultural, and economic cooperation amongst peoples _______________________________________________ Quantum ESPRESSO is supported by MaX (www.max-centre.eu) users mailing list [email protected] https://lists.quantum-espresso.org/mailman/listinfo/users
