quantum-espresso/HP
Paolo Giannozzi 6f5ef00240 Cleanup of "basis" module
- There are two files called atomic_wfc_mod but no module with such name
- The closest thing to atomic_wfc_mod is the mysteriously called "basis" module
- It also contains variables used to start self-consistency that have little in common with those for atomic wavefunctions
- These have been moved to a different module, temporarily called "starting_scf" (better ideas welcome)
2024-04-30 15:18:45 +02:00
..
Doc update qe version numbers to 7.3.1 2024-02-14 12:16:30 +01:00
examples Obscure line present in all examples replaced with a much simpler one. 2022-09-03 11:53:33 +02:00
src Cleanup of "basis" module 2024-04-30 15:18:45 +02:00
CMakeLists.txt Full implementation of DFT+U+SOC 2022-08-21 10:02:04 +02:00
Makefile Implementation of the new code hp.x to compute Hubbard U from DFPT. 2018-08-29 14:54:42 +02:00