Abinit # Which code have you used to get the input data? Potential # Which is the input data used to compute the band offset? t43_VHXC # Name of the file where the input data is stored 1 # Number of convolutions required to calculate the macro. ave. 4.427409 # First length for the filter function in macroscopic average 0.0 # Second length (not needed) 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 = #%% t43_VHXC.MAV, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy; #%% t43_VHXC.PAV, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy #%% [shell] #%% pre_commands = iw_cp t43.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 : one filter function, #%% using the average width of a layer, and spline interpolation. #%% topics = Macroave #%%