Hello all,
I am using LAMMPS-64 bit (16-05-2016). I am trying the system in which Ga atoms are colliding with the diamond atoms. diamond atoms are 1-3; and type 4 is Ga atoms. I am applying ZBL potential for Ga and C interaction. However, itis giving error. Kindly suggest the way out.
##…Potential…#
pair_style hybrid tersoff/zbl tersoff zbl 3.0 4.0
pair_coeff * * tersoff/zbl SiC.tersoff.zbl C C C NULL
pair_coeff * * tersoff GaN.tersoff NULL NULL NULL Ga
pair_coeff 1 4 6 31 ###Atomic no. of C and Ga
pair_coeff 2 4 6 31
pair_coeff 3 4 6 31
pair_coeff 1 4 6 31 ###Atomic no. of C and Ga
ERROR: Pair coeff for hybrid has invalid style (…/pair_hybrid.cpp:396)
Hello all,
I am using LAMMPS-64 bit (16-05-2016). I am trying the system in which Ga
atoms are colliding with the diamond atoms. diamond atoms are 1-3; and type
4 is Ga atoms. I am applying ZBL potential for Ga and C interaction.
However, itis giving error. Kindly suggest the way out.
http://lammps.sandia.gov/doc/Section_errors.html
Thanks for the reply,
When I am using only zbl potential for both Ga and C, simulation is running
pair_style zbl 3.0 4.0
pair_coeff 13 13 6.0 6.0
pair_coeff 4 4 31.0 31.0
pair_coeff 1 4 6 31 ###Atomic no. of C and Ga
pair_coeff 2 4 6 31
pair_coeff 3 4 6 31
But I want to use tersoff for C and Ga. Interaction between Ga and C is to be defined by ZBL potential as shown in previous mail.
I could not figure out the error. Kindly help.
the error message: ERROR: Pair coeff for hybrid has invalid style (…/pair_hybrid.cpp:396)
Do you notice any interesting differences betere your first two pair_coeff commands and the others? Maybe you should reread the document for pair_style hybrid.
Thanks Mr. Stefan for your reply.
It was zbl that was missing in its pair_coeff commands.