[QE-users] vdW not implemented for nspin > 1 in QE 6.5

EMANUEL ALBERTO MARTINEZ emanuelm at ucm.es
Mon Jun 27 13:24:08 CEST 2022


Dear users,

    I need to compute a vc-relax calculation in a vdW system with
magnetization (nspin = 2), but this error emerges:

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Error in routine vdW_DF_stress (1):
vdW stress not implemented for nspin > 1
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     I am using QE v6.5 in a HPC cluster. Could anyone please help me to
solve this problem?

Thanks in advance

Regards

-- 

Emanuel A. Martínez

Departamento de Física de Materiales

Universidad Complutense de Madrid

Plaza Ciencias 1

Facultad Cs. Físicas

28040, Madrid - España
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