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