Skip to content

Changes in TDDFPT and HP

Iurii Timrov requested to merge (removed):fix_tddfpt into develop

Changes in TDDFPT related to the recent extension of turboEELS to USPP+SOC:

  1. Minor changes here and there
  2. Added example 17 testing the implementation of turboEELS+USPP+SOC
  3. Modified Makefiles to remove dependencies of TDDFPT on PH routines (it was mistakenly introduced recently)
  4. Removed the routine dveqpsi_us_only.f90 because it is not used anywhere (it is an analogue of lr_addus_dvpsi.f90) In the HP code added a check on the variable perturb_only_atom (only Hubbard atoms are allowed to be perturbed)

Merge request reports