PHONOPY -SPOSCAR -LAMMPS

Hi…
How can I use the PHONOPY processed SPOSCAR files as the input script script of LAMMPS ???

HI Siby,

Based on the lammps manual, there is no mention for SPOSCAR file (script?) as input or data file.

Since SPOSCAR file is “a perfect supercell that contains no atomic displacements” as shown in PHONOPY manual, I am not sure that you can use that file directly running in lammps.

You can modify a “POSCAR” file for lammps data file.

Here is more information for lammps data file format.

http://lammps.sandia.gov/doc/read_data.html

C.W Jang

Hi..
How can I use the PHONOPY processed SPOSCAR files as the input script script
of LAMMPS ???

what the hell is a PHONOPY and an SPOSCAR??
those names sound like novelties sold in late night informercials...

axel.

Axel,
Those are VASP related files. This person might be trying to compute
some phonon relations or something along those lines. Dear Siby, you
can't expect people on this list to read your mind....
Carlos