diff --git a/README.md b/README.md index 8dadef910..43c31eec3 100644 --- a/README.md +++ b/README.md @@ -54,6 +54,7 @@ can be found on [Wiki page on gitlab](https://gitlab.com/QEF/q-e/-/wikis/home). - PWneb: reaction pathways and transition states with the Nudged Elastic Band method; - GWL: many-body perturbation theory in the GW approach using ultra-localised Wannier functions and Lanczos chains; - QEHeat: energy current in insulators for thermal transport calculations in DFT. +- KCW: Koopmans-compliant functionals in a Wannier representation ## Modular libraries The following libraries have been isolated and partially encapsulated in view of their release for usage in other codes as well: @@ -64,6 +65,7 @@ The following libraries have been isolated and partially encapsulated in view of - KS Solvers: parallel iterative diagonalization for the Kohn-Sham Hamiltonian (represented as an operator),using block Davidson and band-by-band or block Conjugate-Gradient algorithms. - LRlib: performs a variety of tasks connected with (time-dependent) DFPT, to be used also in connection with Many-Body Perturbation Theory. - upflib: pseudopotential-related code. +- devXlib: low-level utilities for GPU execution ## Contributing Quantum ESPRESSO is an open project: contributions are welcome.