I am a beginner in LAMMPS and have got stuck in a problem. Will be very nice if anyone can please help.
My problem is I am trying to melt a nanocomposite structure ( Al cube which has vacancies in it full of Si atoms and a carbon nanotube in the center of the Al lattice). I tried to fix Tersoff potential for interaction between C atoms, lj/cut for Al-Si and Al-C & Al_zhou.eam.alloy potential file for interactions between Al-Al.
However, while I was running the simulation, an error is coming while fixing the pair_style hybrid which states "Pair coeff for hybrid has invalid style (…/pair_hybrid.cpp:359)". I checked the error list and am understanding that there is some problem with the hybrid specification but am faling to detect the problem. Can anyone please help? Thanks.
A part of my input script is as follows (lines in bold after which errors are occuring :
boundary p p p
pair_style hybrid eam/alloy lj/cut 10 tersoff
pair_coeff 1 1 Al_zhou.eam.alloy
pair_coeff 1 2 lj/cut 10
pair_coeff 1 3 lj/cut 10
pair_coeff 3 3 SiC.tersoff Si C…
All the other files required for the simulations are being attached below. The input script is in.nanocomposite. Thanks again.
in.nanocomposite (1.47 KB)
SiC.tersoff (1.53 KB)
Al_zhou.eam.alloy (694 KB)
log.lammps (578 Bytes)