Thanks for the indication. Would any pseudo of the ONCV_PBE collection
give the same result? Would any norm-conserving pseudo behave in the
same way?
all hte best,
José C. Conesa
El 19/11/2020 a las 10:21, Paolo Giannozzi escribió:
On Thu, Nov 19, 2020 at 10:12 AM José C. Conesa <jccon...@icp.csic.es
<mailto:jccon...@icp.csic.es>> wrote:
Error in routine offset_atom_wfc (1):
wrong offset
Which may be the reason?
V_ONCV_PBE_FR-1.9.UPF contains no atomic wavefunctions
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
--
José C. Conesa
Research Professor
Instituto de Catálisis y Petroleoquímica, CSIC
Marie Curie, 2; Campus de Cantoblanco
28028 Madrid (Spain)
Telef. +34 915854766
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