How should I convert the FS EAM format(.eam.fs) into the DYNAMO setfl format(.eam.alloy)?

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1

Hi,Dear all:
For FS EAM files,the format of the Nelement sections for each element I is :
line 1 = atomic number, mass, lattice constant, lattice type (e.g. FCC)
embedding function F(rho) (Nrho values)
density function rho® for element I at element 1 (Nr values)
density function rho® for element I at element 2
…
density function rho® for element I at element Nelement
However,for DYNAMO setfl format,that is:
line 1 = atomic number, mass, lattice constant, lattice type (e.g. FCC)
embedding function F(rho) (Nrho values)
density function rho® (Nr values)
To be sure, the first format can describe the electron density more accurately while the element type is more than one. I have got questions:
what the density function for DYNAMO setfl format if the element types are above one?
Does that present element N at element N in the Nelement section?
In brief, how I convert the first format into the second format if there is a necessary for me?
Best regards
Tsung Fong

2

There are several DYNAMO files of all variants in the potentials

dir, and their format is explained in the pair eam doc page.

I can’t tell you anymore about converting one file to another.

Steve