Update quantum_transport/cnt_w90/quatrex_config.toml

quantum_transport/cnt_w90/quatrex_config.toml

@@ -4,7 +4,7 @@ simulation_dir = "."
 transport_direction = 'x'
 
 [scba] # ===============================================================
-max_iterations = 21
+max_iterations = 3
 mixing_factor = 0.5
 
 coulomb_screening = true 
@@ -41,10 +41,10 @@ valence_band_edge = -4.174109778287768    # eV
 band_edge_tracking = "eigenvalues"
 
 # Energy grid.
-# energy_window_min = -10
-# energy_window_max = 8
+energy_window_min = -10
+energy_window_max = 8
 # # energy_window_num = 256
-# energy_window_num_per_rank = 4
+energy_window_num_per_rank = 4
 
 solver.algorithm = "rgf"
 solver.max_batch_size = 1000