[QE-users] Pseudopotential for Heusler alloy:-Reg

Suresh A suresh2007pgp19 at gmail.com
Wed Jun 3 12:20:57 CEST 2020


Dear Friends,
                   I would like to study full heusler alloy for CU2MnAl
using  common available pseudopotential (X.pbesol-dn-kjpaw_psl.0.2.UPF) for
all three elements.
Is this pseudopotential is correct one  to study electronic struture,
Magnetic, and transport properties of this alloy? Any suggestions would be
appreciated.
                    Thank You
                 Yours Sincerely,

 A.Suresh,
Post-Doctoral Fellow
Department of Physics
National Institute of Technology
Tiruchirappalli
Tamil Nadu,
India
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