Code version and compiler?
On 11/25/25 11:42, Aditya Putatunda wrote:
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Dear Prof. Giannozzi,
I am trying to calculate the ferromagnetic bands in EuS using this Eu
paw pseudopotential containing f-orbitals. The scf step went alright and
I obtained a 7 muB FM ground state. However, the process crashes in any
of the nscf steps with the following error:
Message from routine qes_read:scf_convType:
error reading n_scf_steps
Message from routine qes_read:algorithmic_infoType:
error reading uspp
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%
Error in routine qes_read: matrixType (10):
required attribute rank not found, can't read further, stopping
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
%%%%%%%%
Do you think there's an easy fix out of this? It'd be a big help as we
are trying to push for some features that are not present in VASP. I
have attached the relevant files for your reference.
Regards,
Aditya Putatunda
CNR-SPIN
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 206, 33100 Udine Italy, +39-0432-558216
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