Announcements
almaBTE v1.1 released
Version 1.1 of almaBTE has been released and is freely available from www.almabte.eu AlmaBTE is a software package that solves the space and timedependent Boltzmann transport equation for phonons, using only abinitio
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 nmμm range. Among
other quantities, the program can output thermal conductances and
effective thermal conductivities, spaceresolved average temperature
profiles, and heatcurrent distributions resolved in frequency and
space.Another interesting development is the almaBTE database of force constants, with publicationquality sets of harmonic and anharmonic inputs for many semiconductors of theoretical and industrial interest. We encourage ShengBTE users to try almaBTE and to contribute to its development. 
ShengBTE v1.1.0
Version 1.1.0 of ShengBTE has been released and can be obtained from the Downloads section. New features include the ability to study several temperatures in the same run and compute weighted phase space volumes. A couple of issues with symmetrization have been fixed. Due to the many changes to the output formats introduced by this new version, users are encouraged to read the documentation (in file README.md). 
ShengBTE v1.0.2
Version v1.0.2 can now be obtained from the Downloads section. This release improves the numerical stability of the nonanalytic correction to the dynamical matrix and of the iterative solution to the BTE. It also ensures better compliance of the conductivity tensor with the symmetries of the system. 
ShengBTE v1.0.1 and thirdorder.py v1.0.2
ShengBTE v1.0.1 and thirdorder.py v1.0.2 are now available from the usual locations, including the Downloads section. The new release of ShengBTE fixes a bug in the calculation of the projected density of states. With respect to thirdorder.py, the main changes are:

ShengBTE v1.0.0
Version 1.0.0 of ShengBTE comes with a few new features:
v1.0.0 also fixes an important bug. Acoustic frequencies at Gamma were assumed to be exactly 0 in the scattering rate calculations, but not actually set to zero. This caused quite a lot of trouble for certain crystal structures. Moreover, the documentation has been rewritten in Markdown to make it simpler to read from a textonly terminal. The new release can be obtained from the Downloads section. 
ShengBTE v0.9.16 and thirdorder.py v1.0.1
ShengBTE v0.9.16 and thirdorder.py v1.0.1 are now available from the Downloads section. v1.0.1 of thirdorder.py brings an overhaul of its core, now written in Cython. No Fortran compiler is needed to build the shared library now. Since BLAS used to be source of most linking problems, we hope that this change makes compilation easier. Please refer to README.md for details. The main change in ShengBTE is the treatment of degenerate modes, whose group velocities are now properly symmetrized. Some new files have been added to the output. As usual, some bugs have been ironed out here and there. 
Quantum ESPRESSO support with ShengBTE v0.9.15 and thirdorder.py v1.0.0
New releases of ShengBTE and thirdorder.py are available from the Downloads section. The new releases bring major changes in the form of support for Quantum ESPRESSO as a DFT backend, as well as some minor bug fixes in the code. These improvements have been made possible thanks to the coding and testing work of Dr. Antti J. Karttunen. The changes affect the usage of thirdorder.py. Indeed, no script with the name "thirdorder.py" exists in this release. Code needed by both the ESPRESSO and VASPbased workflows is now in the thirdorder_common module, the traditional VASP interface has been moved into thirdorder_vasp.py and the new ESPRESSObased code is in thirdorder_espresso.py. Apart from the name of the script, no changes should be necessary in VASPbased workflows. Users interested in the new ESPRESSO interface should refer to the documentation. We hope that that ESPRESSO support will serve to expand the user base of ShengBTE by providing the tools needed to complete a fully opensource workflow for atomistic calculations of the lattice thermal conductivity. 
ShengBTE v0.9.14
ShengBTE v0.9.14 brings many bug fixes (documentation, Grüneisen calculation...) and some new features:  Compute emission and absorption contributions to phase space separately  Output information about the full qpoint mesh We thank Dr. Albert BartokPartay from University of Cambridge for reporting the bug on Grüneisen calculation. 
ShengBTE article published
Our article ShengBTE: A solver of the Boltzmann transport equation for phonons has been published as Computer Physics Communications 185 (2014) 17471758. Please see the How to cite section for bibliographical information. 
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