quantum-espresso/PW/examples/example16/reference
MackeEric 65f5ce3576 First implementation of orbital-resolved DFT+U for SOC/NC
Implementation of NC orbital-resolved Hubbard ALPHA

Add documentation of NC orbital-resolved DFT+U

Mini fix (variable defined twice)

Allow for more atoms to be printed in LR-cDFT

Minor fix of boundaries in printing routine for orbital-resolved LR-cDFT

Fixing issues with occupation printing in LR-cDFT

Minor fixes in OR-LR-cDFT printing routines

fix v_of_rho

cleanup
2025-05-08 19:10:44 +02:00
..
LiCoO2.scf.1.in Implementation of orbital-resolved DFT+U as 2025-05-08 17:46:34 +02:00
LiCoO2.scf.2.in Implementation of orbital-resolved DFT+U as 2025-05-08 17:46:34 +02:00