VASP setup :
PTYPE=paw_GGA
ENCUT=320.0
VASP potential specification :
Ce=Ce_3
Nd=Nd_3
Sm=Sm_2
Yb=Yb_2
Eu=Eu_2
O=O
Na=Na_pv
K=K_pv
Rb=Rb_sv
Cs=Cs_sv
Y=Y_sv
BINARY SYSTEMS:
b-fe
b-la
b-sc
b-y
b-zr
b-zr
fe-mo
fe-nb
fe-sc
fe-y
fe-zr
TERNARY SYSTEMS:
b-fe-la
b-fe-mo
b-fe-sc
b-fe-y
b-fe-zr
b-y-zr
fe-y-zr
D>3 SYSTEMS:
b-fe-y-zr