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I have a prim with two sites, and I am getting below for the chemical potentials:
`Possible composition axes:
KEY ORIGIN a GENERAL FORMULA --- --- --- --- 0 Sn(2) Na(2) Na(2a)Sn(2-2a) 1 Na(2) Sn(2) Na(2-2a)Sn(2a)
Currently selected composition axes: 0
Parametric composition: comp(a) = 0.25comp_n(Na) - 0.25(comp_n(Sn) - 2)
Composition: comp_n(Na) = 2comp(a) comp_n(Sn) = 2 - 2comp(a)
Parametric chemical potentials: param_chem_pot(a) = 2chem_pot(Na) -2chem_pot(Sn)`
i wonder it should be like param_chem_pot(a) = chem_pot(Na) -chem_pot(Sn), why there is a factor of 2?
param_chem_pot(a) = chem_pot(Na) -chem_pot(Sn)
Is there anything wrong?
The text was updated successfully, but these errors were encountered:
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I have a prim with two sites, and I am getting below for the chemical potentials:
`Possible composition axes:
Currently selected composition axes: 0
Parametric composition:
comp(a) = 0.25comp_n(Na) - 0.25(comp_n(Sn) - 2)
Composition:
comp_n(Na) = 2comp(a)
comp_n(Sn) = 2 - 2comp(a)
Parametric chemical potentials:
param_chem_pot(a) = 2chem_pot(Na) -2chem_pot(Sn)`
i wonder it should be like
param_chem_pot(a) = chem_pot(Na) -chem_pot(Sn)
, why there is a factor of 2?Is there anything wrong?
The text was updated successfully, but these errors were encountered: