Kylin-PBC: Periodic DFT from First Principles

C++17 · GTO Basis Sets · GTH Pseudopotentials · MGDF / FTDF Integrals
Download Software User Manual

Download Kylin-PBC

Kylin-PBC is distributed as a pre-compiled binary for Linux platforms.

Version 1.4 of Kylin-PBC was released in February 2026, featuring periodic DFT with GTO basis sets, GTH pseudopotentials, and advanced density fitting integral algorithms (MGDF/FTDF). The package is free of charge for academic users.

If you are interested in the Kylin-PBC package, please send a signed license file to Mr. Xinyu Sun via sunxinyu347@gmail.com for the trial version.

Kylin-V (Open Source)

Kylin-V is an easily-used and improved program for TD-DMRG (ex-ph coupling model) and vibrational heat-bath CI. It is open-source and free of charge for any users. Please visit this Gitee page to get the source code of Kylin-V.