Hi Jack,

I’m assuming these are Paradyn file formats with numeric EAM. In which you follow the “numeric” input as given below:

@@eam_functional

Topic : eam_functional

Type : option

Format : eam_functional <square_root> <banerjea_smith n> <johnson/glue/foiles/mei-davenport/baskes/vbo/igarashi/spline/numeric>

: if square_root or power :

: atom1 A_1

: atom2 A_2 etc…

: if banerjea_smith :

: atom1 F0_1 F1_1 rho0_1 <3*flags>*

: atom2 F0_2 F1_2 rho0_2 <3flags> etc…

: if johnson :

: atom1 F0_1 F1_1 rho0_1 alpha beta gamma <6*flags>*

: atom2 F0_2 F1_2 rho0_2 alpha beta gamma <6flags> etc…

: if glue :

: atom1 rho1 rho2

: c1_4 c1_3 c1_2 c1_1 c1_0

: c2_4 c2_3 c2_2 c2_1 c2_0

: c3_3 c3_2 c3_1 c3_0

: atom2 rho1 rho2

: c1_4 c1_3 c1_2 c1_1 c1_0

: c2_4 c2_3 c2_2 c2_1 c2_0

: c3_3 c3_2 c3_1 c3_0

: if foiles :

: atom1 F0_1 F1_1 F2_1 F3_1 <4*flags>*

: atom2 F0_2 F1_2 F2_2 F3_2 <4flags> etc…

: if mei-davenport :

: atom1 Ec_1 alpha_1 beta_1 gamma_1 delta_1 phi0_1 s_1_1 s_2_1 s_3_1 <9*flags>*

: atom2 Ec_2 alpha_2 beta_2 gamma_2 delta_2 phi0_1 s_1_2 s_2_2 s_3_2 <9flags> etc…

: if baskes :

: atom1 Ec_1 A_1 rho0_1 <2*flags>*

: atom2 Ec_2 A_2 rho0_2 <2flags> etc…

: if vbo :

: atom1 A_1 rn_1 <2*flags>*

: atom2 A_2 rn_2 <2flags> etc…

: if igarashi :

: atom1 A_1 B_1 <2*flags>*

: atom2 A_2 B_2 <2flags> etc…

: if spline :

: atom1 A_1 B_1 C_1 D_1 rho0_1 rho_max_1 <4 x flags>

: atom2 A_2 B_2 C_2 D_2 rho0_2 rho_max_2 <4 x flags>

: if numeric :

: atom1 filename

This means you would write:

eam_fn numeric

Al Al.gulp.eamfn

and follow the same process for the other cases.

Of course an easier option is to use one of the EAM or MEAM models that comes with GULP in the libraries meam, meam_2nn, meidavenport, suttonchen etc.

Regards, Julian