Merge branch 'fix_calc_min_max_band_energies' into bse_only_chiloc

Author: j-otsuki

src/dcore/sumkdft_opt.py

@@ -854,6 +854,7 @@ def eff_atomic_levels(self):
             eff_atlevels = None
         return mpi.bcast(eff_atlevels)
 
+    # This replacement does not work when np_mpi > nk
     def calculate_min_max_band_energies(self):
         # hop = self.hopping
         # diag_hop = numpy.zeros(hop.shape[:-1])
@@ -871,6 +872,16 @@ def calculate_min_max_band_energies(self):
         self.max_band_energy = max_band_energy
         return min_band_energy, max_band_energy
 
+    # Simply set 0
+    def calculate_min_max_band_energies(self):
+        if mpi.is_master_node():
+            warn("Set min_band_energy=0 and max_band_energy=0 when hopping_part is used.")
+        min_band_energy = 0
+        max_band_energy = 0
+        self.min_band_energy = min_band_energy
+        self.max_band_energy = max_band_energy
+        return min_band_energy, max_band_energy
+
     # This method is not used for the moment.
     # Actually, replacement is simple.
     def calc_density_correction(self, filename=None, dm_type='wien2k'):