Including b3 structure in meam potential

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1

Dear all,

I am getting error
ERROR: Unrecognized lattice type in MEAM file 2 (…/pair_meam.cpp:712)
Last command: pair_coeff * * library.meam Si C SiC.meam Si C

actually I want to use the MEAM potential parameter " lattice" as ‘b3’ (that is ZnS structure) in SiC.meam file instead of ‘dim’, how I can go for it?

Regards,

Digvijay

2

Dear all,
            I am getting error
ERROR: Unrecognized lattice type in MEAM file 2 (../pair_meam.cpp:712)
Last command: pair_coeff * * library.meam Si C SiC.meam Si C

actually I want to use the MEAM potential parameter " lattice" as 'b3' (that
is ZnS structure) in SiC.meam file instead of 'dim', how I can go for it?

does it explicitly say in the manual, that a "b3" lattice option is supported?

axel.

3

Thanks axel,
actually it doesnt explicitly say in manual , that a “b3” lattice option is supported but if I want to work on it then how I can go for it?Regards,
digivjay

4

Thanks axel,
actually it doesnt explicitly say in manual , that a "b3" lattice option is
supported but if I want to work on it then how I can go for it?

if it is not listed in the manual, then there is no direct support.
you would have to read, understand, and correspondingly modify the sources.

axel.