Dear SIESTA users

Currently I'm using VIBRA package in SIESTA to calculate the phonon
dispersion relation of monolayer h-BN. When I choose the supercell size more
than 3*3*0, "Segmentation fault" is always reported, even when a small
Meshcutoff (smaller than 50Ry) was chosen. The workstation I used has two
6-core CPUs and 24GB memory. Is the hardware the limiting factor or does the
problem come from elsewhere?

Thanks.

Responder a