DMFT interface bugfix
List of changes:
ZGEMM bug:
-
sum_band.f90
: ZGEMM mode: swapped 'C' for 'T' when performing a DMFT charge update
Additional output for DMFT energy calculation:
-
print_ks_eigenenergies.f90
: when doing a DMFT run, print the band_energy in the nscf calculation -
electrons.f90
: print the band_energy in the scf calculation
Discussed with @phibeck
Edited by Alberto Carta