Description

From the ShengBTE homepage: ShengBTE is a software package for solving the Boltzmann Transport Equation for phonons. Its main purpose is to compute the lattice contribution to the thermal conductivity of bulk crystalline solids, but nanowires can also be treated under a hypothesis of diffusive boundary conditions. In addition to the thermal conductivity itself, ShengBTE computes and outputs plenty of additional information about the system under study. See the Features page for a more complete description. Our method is fully parameter-free, and within its limits of applicability it can yield excellent agreement with experiment. In contrast with parametric methods, it can also be used to predict the lattice thermal conductivity of uncharacterized or even as-yet-unsynthesized materials.

Version

• 1.2.0

Authorized Users

• CIRCE account holders
• RRA account holders
• SC account holders

Platforms

• CIRCE cluster
• RRA cluster
• SC cluster

Modules

ShengBTE requires the following module file to run:

• apps/ShengBTE/1.2.0

• See Modules for more information.

Documentation

Home Page, User Guides, and Manuals

• https://www.shengbte.org/documentation

More Job Information

See the following for more detailed job submission information:

• SLURM User’s Guide
• Scheduling and Dispatch Policies
• Advanced Submit Techniques

Reporting Bugs

Report bugs with ShengBTE to the IT Help Desk: rc-help@usf.edu