ERROR: Incorrect args for pair coefficients (src/pair.cpp:805)

Last command: pair_coeff * * BNC.tersoff N B N

The above error is occurred while using BNC.tersoff potential.Please suggest what is wrong.Thanks in advance.

ERROR: Incorrect args for pair coefficients (src/pair.cpp:805)

Last command: pair_coeff * * BNC.tersoff N B N

The above error is occurred while using BNC.tersoff potential.Please suggest what is wrong.Thanks in advance.

This error usually occurs when the number of atom types in the system does not match the number of elements following the potential file.

pair_style tersoff

pair_coeff * * BNC.tersoff B N

is it correct while calculating the thermal conductivity of BN?

Is it correct (…)

Yes if you have only 2 atom types, and ‘1’ is B and ‘2’ is N

(…) while calculating the thermal conductivity of BN?

If your pair coeffs are corrects, then they are correct regardless of the calculation you want to perform.