[QE-developers] Different magnetisation values from version 7.3.1 when compared with 6.7

[Jaime Oliveira da Silva]

Hi everyone,

I want to report a regression bug when doing the calculation of Nickel slab. In qe version 6.7 the values for the slab magnetisation is different than the version 7.3.1. However, the convergence is faster in the more recent version when compared with version 6.7. Is this a bug or there is something new in version 7.3.1? 

I attached the input file of the calculation.

Cheers,
Jaime Silva
Junior Researcher

Universidade de Coimbra • Faculdade de Ciências e Tecnologia • Departamento de Física • CFisUC
University of Coimbra • Faculty of Sciences and Technology • Department of Physics • CFisUC








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