[lammps-users] Dear lammps-users and developers


Dear lammps-users and developers,

I have a small query. I want to specify two block regions in my simulation box. As shown in Fig.1, it contains the Ar(liquid) and Pt(solid).

1. What units should be chosen for the simulation? units metal, lj or real?

2. How the scale is determined in lattice fcc scale command?

Any suggestions and comments will be highly appreciated. Thanks in advance.
kind regards

┌─────────┐
│ Ar │
├─────────┤
│ Pt │
└─────────┘
|

Answers below.

Steve


Dear lammps-users and developers,

I have a small query. I want to specify two block regions in my simulation box. As shown in Fig.1, it contains the Ar(liquid) and Pt(solid).

1. What units should be chosen for the simulation? units metal, lj or real

You can use whichever you wish - your inputs just have to be appropriate for the choice
you make.


2. How the scale is determined in lattice fcc scale command?

It’s explained in the doc page for the lattice command, e.g. if units are metal,
then the scale value is Angstroms.