mirror of https://github.com/abinit/abinit.git
31 lines
1.2 KiB
Plaintext
31 lines
1.2 KiB
Plaintext
Abinit # Which code have you used to get the input data?
|
|
Charge # Which is the input data used to compute the band offset?
|
|
t45_DEN # 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)
|
|
40 # Total charge
|
|
linear # Type of interpolation
|
|
|
|
#%%<BEGIN TEST_INFO>
|
|
#%% [setup]
|
|
#%% executable = macroave
|
|
#%% test_chain = t42.abi, t43.abi, t44.abi, t45.abi
|
|
#%% [files]
|
|
#%% files_to_test =
|
|
#%% t45_DEN.MAV, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy;
|
|
#%% t45_DEN.PAV, tolnlines= 0, tolabs= 0.000e+00, tolrel= 0.000e+00, fld_options=-easy
|
|
#%% [shell]
|
|
#%% pre_commands = iw_cp t45.abi macroave.in
|
|
#%% [paral_info]
|
|
#%% max_nprocs = 1
|
|
#%% [extra_info]
|
|
#%% authors = Unknown
|
|
#%% keywords = NC
|
|
#%% description =
|
|
#%% Si/Ge heterojunction, see test 42
|
|
#%% Analyze the charge density : one filter function,
|
|
#%% using the average width of a layer, and linear interpolation.
|
|
#%% topics = Macroave
|
|
#%%<END TEST_INFO>
|