Skip to content

Add Resolution of Identity HSE - Part 2

Mikael Kuisma requested to merge add-ri-hse-part2 into master

Part 2 of ~10 merge requests to implement HSE-functional with resolution of identity.

Main focus in this MR is on the setup generation, introduce means to put things (such as core exchange) to PAW setup files and RI-basis functions to basis set files. I wish to establish the correct procedures before proceeding with more information stored in these files.

Edited by Mikael Kuisma

Merge request reports