Hi Steve and Paul,
I want to thank you for adding the Stillinger-Weber potential to Lammps.
I have some elementary questions about the use of the sw potential and where is taking the parameters from:
Does the program read the file.sw (e.g. si.sw) from its current direction in the potentials directory, or should I
copy it and place it where the simulation is run?
Wherever file.sw goes, I assume I can change the parameters and use without recompiling. Please let me know
if I am wrong.
If I have different atom types in the simulation, and all of them interact with the SW potential, should I indicate
how the parameters are mixed? (for the two body part) or have to write explicit terms for all pair and triplets?
Can I control the mass of the atoms independently? (e.g. have two silicon atoms with different parameters in
same simulation box)
in the manual example for pair_style sw, the " * *" in the example for the coefficient is really a star or the number
of the potential? e.g. pair_coeff 1 1 si.sw Si
I do not understand the example for 4 different atom types
pair_coeff * * SiC.sw Si Si Si C
are the three Si different in terms of atom types, with different parameters? Could you please send me this SiC.sw
file as an example (with any parameters, I do not understand the structure).
Is the sw ready to be used in combination with other potentials? if yes and you have a data (and input) file examples
that you can make available, i will really appreciate it.
Thanks for your patience reading this and for the help you can provide me to get started with this,