Is it possible to do phonon calculations with Onetep? I intend to do thermodynamics calculation for a crystal with a large unit cell. I have no license for CASTEP or DMOL3, but I have it for ONETEP.
Viorel
Is it possible to do phonon calculations with Onetep? I intend to do thermodynamics calculation for a crystal with a large unit cell. I have no license for CASTEP or DMOL3, but I have it for ONETEP.
Viorel