Relaxation of WSe2 bilayer

[Gayani Pallewela]

Hi Indrajit,

Previously I had an Se layer detachment issue.

It was resolved after I use SW/mod style.

So it means when we do the relaxation of simulations of TMDs it is better to use SW/mod style?

Thanks and regards,

Gayani

[Indrajit Maity]

Hi Gayani,

Short answer: They are the same. 

If you use SW then you need to modify pair_sw.cpp and recompile lammps. If you use SW/mod, you don't need to modify anything, and the stable LAMMPS version should work fine. Best place is to look at LAMMPS doc: https://docs.lammps.org/pair_sw.html

Best wishes,

Indrajit

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