General announcements

Messages from the Psi-k trustees and other topics of relevance to the Psi-k community, e.g. community-led software codes or databases…

In light of the Russian military offensive in Ukraine, we request that announcements relating to events, jobs and other activities associated with institutions supported by the Russian and Belarusian states are not posted to the Psi-k forum.


almaBTE v1.1 released (No replies)

nmingo
7 years ago
nmingo 7 years ago

almaBTE is a software package that solves the space- and time-dependent Boltzmann transport equation for phonons, using only ab-initio  calculated quantities as inputs. The software can currently model phonon transport in bulk crystals and alloys, thin films, superlattices, and multiscale structures with size features in the nm-μm range. Among other quantities, the program can output thermal conductances and effective thermal conductivities, space-resolved average temperature profiles, and heat-current distributions resolved in frequency and space. 

almaBTE builds on the strengths of shengBTE, extending ab-initio thermal transport calculations beyond single crystals in the stationary state. The design of almaBTE is also more flexible, portable and efficient, as required by its far broader design goals. 

Version 1.1 of almaBTE is freely available from http://www.almabte.eu. A detailed description of the architecture of this new suite of tools and the underlying formalism can be found here.

 




Back to General announcements...

Leave a Reply

This site uses Akismet to reduce spam. Learn how your comment data is processed.

Ab initio (from electronic structure) calculation of complex processes in materials