ERROR on proc 0: Incorrect element names in EAM potential file (src/MANYBODY/pair_eam_alloy.cpp:132)

LAMMPS LAMMPS Beginners
1

Please help me. I dont know why this error ocurred
this is my code

— 초기 설정 —

units metal
atom_style atomic
boundary p p p

— 1. 격자 + 시뮬레이션 상자 생성 —

lattice fcc 4.05
region box block 0 10 0 10 0 10 units lattice
create_box 2 box
create_atoms 1 box

— 2. Ga 층 추가 (grain-boundary 대체 예시) —

region ga block 0 10 0 10 9 11 units lattice
create_atoms 2 region ga

— 3. 질량, 힘장 설정 —

mass 1 26.98 # As
mass 2 69.72 # Ga
pair_style eam/alloy
pair_coeff * * GaAs.bop.eam.alloy Ga As
neighbor 2.0 bin
neigh_modify delay 10

— 4. 출력 설정 —

dump 1 all custom 100 dump.ga_al id type x y z
thermo 100

— 5. 적분 및 수행 —

velocity all create 300 12345 mom yes rot yes dist gaussian
fix 1 all nvt temp 300 300 0.1
timestep 0.001

run 50000
and this is error mesage
ERROR on proc 0: Incorrect element names in EAM potential file (src/MANYBODY/pair_eam_alloy.cpp:132)
Last command: pair_coeff * * GaAs.bop.eam.alloy Ga As
GaAl.bop.table (381.0 KB)

2

Please format your post properly and read the guidelines.

3

The potential file that you are using is not an EAM potential.

4

I want to get eam file between aluminum and gallium. But I can’t get eam file even though I use method in lammps manual. Please tell me how to get eam file without using openkim. Thank you.

5

Sorry. I will try to start in a more formal manner in the future.

6

I don’t have any.

I don’t see any EAM potential for GaAs in the OpenKIM database, just the two potentials (BOP and Tersoff) that are also in the NIST database.

You either find potentials in the the various databases, the published literature, or you have to parameterize them yourself or find somebody knowledgeable that can do this for you. Potential parameterization is a non-trivial task to get it properly. You you saying “I want it” is not going to have much of an effect.

Besides, do you think that an EAM potential is a good choice to represent a material like GaAs?
I don’t.

You can start right away by editing your “messy” original post and resolving the inconsistencies in them with the attached file.