On Thu, Oct 22, 2020 at 5:16 PM Sergey Lisenkov <proff...@yandex.ru> wrote:
I encountered a problem with my PAW pseudopotentials from ATOMPAW: > > mismatch mesh > > that comes from upflib/read_upf_new.f90 > > I checked my UPF file and I see that meshes are different in some places > of the file, however v.6.6 is OK with that. > > Was something changed in the code as well? > yes, the code reading the pseudopotentials has changed a lot, but it should read files exactly as before. Please provide the pseudopotential file. Paolo > > Thanks, > Sergey > > USF > _______________________________________________ > Quantum ESPRESSO is supported by MaX (www.max-centre.eu) > users mailing list users@lists.quantum-espresso.org > https://lists.quantum-espresso.org/mailman/listinfo/users -- 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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