Abinit # Which code have you used to get the input data? Potential # Which is the input data used to compute the band offset? t44_VHXC # Name of the file where the input data is stored 2 # Number of convolutions required to calculate the macro. ave. 4.4 # First length for the filter function in macroscopic average 4.45 # Second length 0 # Total charge (not needed) spline # Type of interpolation #%% #%% [setup] #%% executable = macroave #%% test_chain = t42.in, t43.in, t44.in, t45.in #%% [files] #%% files_to_test = #%% t44_VHXC.MAV, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy; #%% t44_VHXC.PAV, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy #%% [shell] #%% pre_commands = iw_cp t44.in macroave.in #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = NC #%% description = #%% Si/Ge heterojunction, see test 42 #%% Analyze the Hartree and XC potential : two filter functions, #%% using two distinct values (on the order of the average #%% layer width, but otherwise arbitrary), and spline interpolation. #%% topics = Macroave #%%