I am trying to use a potential developed by Lee et all ( PRB 64:184102

"Second nearest-neighbor modified embedded atom potentials for bcc

transition metals")

My problem is that the parameters in the library.meam are not well

documented. Right now, i am trying to find the corresponding settings

between the paper and Lammps. Can you help me by filling in the

missing information and correcting any mistakes? I would volunteer to

write a section for the documentation on this, once i got it working.

PAPER

-> LAMMPS

E_c (sublimation Energy)

-> goes into alpha

B (Bulk Modulus)

-> goes into alpha

E_c, B

-> alpha=sqrt((9*B*Omega)/E_c) with Omega=1/2 alat**3 for bcc

A(parameter of the embedding function)

-> ?

R_e (equilibrium nearest-neighbor distance)

-> ?

beta_0 -> b0

beta_1 -> b1

beta_2 -> b2

beta_3 -> b3

? -> t0

t1 -> t1

t2 -> t2

t3 -> t3

Cmax -> Cmax (in the second file)

Cmin -> Cmin (in the second file)

S(screening function on the second nearest-neighbor interactions)- > ?

d ->?

?-> alat

? ->esub

?->asub

?->rozero

3 -> ibar since they used G = 2/(1+exp(-Gamma))

Thank you in advance,

Tobias