How to use the hybrid pair_style to discribe the system including: quip, meam and lj?

LAMMPS
1

I’m trying to calculate a system including Ge2Sb2Te5 and TiN, employing three pair style quip, meam and lj to desdribe the Ge2Sb2Te5, TiN and the interface, respectively. The commond line used is: pair_style hybrid quip meam lj/cut 10.0 and the hole .in file is attached. The error line is: ERROR: Pair coeff for hybrid has invalid style: gp_merged_2bdmbd.xml (…/pair_hybrid.cpp:525), and the out.log has also been attached. Thank you for your reading and hope for response!
gst_TiN.in (2.4 KB)
out.log (1006 Bytes)

2

The best place to learn how to use the pair_style hybrid is the official documentation.

If you are too lazy to study it, you can hope for someone to debug your input for you. That’s not me today.

3

Thank you for your reply, the debug may be the next step I can do it myself, but now I’m not sure if the quip can be used in hybrid and hoping for someone can give the help. Thanks again.

4

You will never find that out unless you use the correct pair_coeff command. Yours is obviously incorrect and the documentation tells you how it is done correctly.