[lammps-users] 3D HCP Ti

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1 
Hi all,
I intend to create a 3D HCP Ti crystal structure by utilizing lammps
lattice command. For that I'm using this pieces of lines as lammps input,
2

Hi
For hcp command the c/a is fixed. The parameter you should provide is a.
For a different c/a, you should define all the basis set. See lattice command in the manual. In the discussion forum this is also described.
Best
Pascal

Hi all,
I intend to create a 3D HCP Ti crystal structure by utilizing lammps
lattice command. For that I'm using this pieces of lines as lammps input,
3

Equilibrated Lattice parameters depends on the potential function used. There is no guarantee that they would have a perfect c/a ratio should the potential function be not optimised for it.

Best wishes, Saurav