problem with hybrid pair_style definition

Dear All,

I have defined the pair_style as below in my code :

pair_style hybrid eam lj/cut 2.5

and I’ve defined pair_coeff as :

pair_coeff 1 1 pb.eam

pair_coeff 1 2 lj/cut 708.49 3.358

pair_coeff 1 3 lj/cut 689.8626 3.27

pair_coeff 1 4 lj/cut 347.75 3.27

pair_coeff 1 5 lj/cut 411.05 3.07

pair_coeff 1 6 lj/cut 153.58 3.00

pair_coeff 2 2 lj/cut 183 3.52

pair_coeff 2 3 lj/cut 178.18 3.43

pair_coeff 2 4 lj/cut 96.79 3.43

pair_coeff 2 5 lj/cut 106.17 3.23

pair_coeff 2 6 lj/cut 39.67 3.16

pair_coeff 3 3 lj/cut 173.5 3.35

pair_coeff 3 4 lj/cut 94.25 3.35

pair_coeff 3 5 lj/cut 103.38 3.15

pair_coeff 3 6 lj/cut 38.62 3.08

pair_coeff 4 4 lj/cut 51.2 3.35

pair_coeff 4 5 lj/cut 56.15 3.15

pair_coeff 4 6 lj/cut 20.98 3.08

pair_coeff 5 5 lj/cut 61.6 2.95

pair_coeff 5 6 lj/cut 23.01 2.88

pair_coeff 6 6 lj/cut 8.6 2.81

after running the invalid style error comes up :

ERROR: Pair coeff for hybrid has invalid style (pair_hybrid.cpp:348)

I tested pb.eam file with a non hybrid example and it worked.

Any help is highly appreciated.

Regards,
SMM1370


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Well, for starters, “eam” should appear after the “1 1” so that LAMMPS knows you want to use the eam style with that file. Otherwise LAMMPS wouldn’t know how to deal with it.

—AEI

Dear Mr. Ahmed E. Ismail,

Thanks for your kind response.

Regards,
SMM1370