Perturbo Workshop
Dear Colleagues, We are excited to announce the 2025 workshop on the PERTURBO code, a state-of-the-art package for first-principles calculations of electron-phonon and related interactions, electronic and spin transport, and nonequilibrium dynamics. The workshop will be held on September 18-19, 2025 in person at Caltech, in Pasadena, and will also...
Perturbo 3.0.0 is released!
We are ready to present you a new version of Perturbo - Perturbo 3.0.0! New features and improvements included in this version: Compatibility with QE 7.3/7.3.1 GPU support for transport and ultrafast dynamics simulations Spin relaxation times Ultrafast spectroscopy Cumulant method for electronic spectral Calculations on correlated systems (DFT+U/DFPT+U)...
Generating input files
Input generation script generation_input.py, which was previously located in the utils folder of the PERTURBO, became a part of the Perturbopy package. Now you can use it with the command input_generation with the corresponding options. More details could be found on the corresponding page of the...
Perturbo Workshop held, materials published
The Perturbo workshop, that was held on September 21-22 at Caltech and included the in-person and remote participation, went successfully! Thank you to the many attendees of the workshop for their active participation! The workshop materials - lectures, tutorials and hands-on sessions - are published on the website and...
Perturbopy on PyPI
Perturbopy package, which allows testing of Perturbo as well as postprocessing of results, has been published on the Python Package Index (PyPI). You can now download it using the command pip install perturbopy.
Perturbo 2.2
We are ready to present you a new version of Perturbo - Perturbo 2.2! New features and improvements included in this version: dynamics: stop rt-BTE when a drift acceleration threshold is reached (boltz_acc_thr parameter) transport and dynamics: exclude selected phonon modes (ph_mode_exclude_ranges parameter) setup...
Perturbo Workshop
Dear Colleagues, We are excited to announce a workshop on PERTURBO. The workshop will be held both in person (at Caltech, in Pasadena) and remotely via Zoom, on September 21-22, 2023. Lectures will be offered in-person and streamed on Zoom on Sept. 21. In-person participants will also attend hands-on sessions...
Perturbo 2.1
We are ready to present you a new version of Perturbo - Perturbo 2.1! New features and improvements included in this version: Compatibility with QE 7.2 Minor bug fixes and improvements of Perturbo 2.0 that make it more stable compatible with older Fortran compiler versions nvfortran compiler support Bug...
Change the naming convention
Dear Colleagues, In the last PERTURBO update an important change was introduced. Files received during the execution of qe2pert.x and further processed perturbo.x (also called epwan files) will henceforth be called in the format ‘prefix’_epr.h5. In the next few versions of PERTURBO, both types of names...
Testsuite for Perturbo
The latest update to the Perturbopy package introduced the ability to test and more responsibly validate the qe2pert.x executable, and many options and parameters for running tests have been changed (more details here).
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