[lammps-users] PDB FILES

Hello,

I am looking for pdb files of calcite and feldspar. Is there any site or database where I can find these files?

Thank you
Isa

using PDB files for geometries is a very bad idea. this file format has many limitations including extremely low precision for storing coordinates.

you should be able to find crystal structures for those materials either online or in the published literature and then it should be a straightforward process to convert those into cartesian coordinates. your best chance is to look for tools related to crystallography which can convert data stored in common file formats like CIF (https://en.wikipedia.org/wiki/Crystallographic_Information_File ).

Axel.