[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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