mirror of https://github.com/abinit/abinit.git
33 lines
1.5 KiB
Plaintext
33 lines
1.5 KiB
Plaintext
4 # flag for PAW run conducti + corespectra + emissionspectra
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t09o
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0.073119 0.0000001 5.00 1000 1 0.0 0.0 # delta_freq, min_freq, max_freq(in a.u.), nfreq, iatom, max,center(if arctan smearing, 0 otherwise)
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## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = conducti
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#%% test_chain = t09.abi, t10.abi
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#%% [files]
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#%% files_to_test =
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#%% t10.out, tolnlines =10, tolabs = 1.3e-04, tolrel = 2.0e-04, fld_options = -easy;
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#%% t10_Kth, tolnlines =50, tolabs = 1.3e-04, tolrel = 2.0e-04, fld_options = -easy;
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#%% t10_abs, tolnlines =50, tolabs = 4.0e+04, tolrel = 3.2e-05, fld_options = -ridiculous;
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#%% t10_sigX, tolnlines =10, tolabs = 2.1e-10, tolrel = 1.0e-07, fld_options = -easy;
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#%% t10_emisX, tolnlines = 5, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -easy;
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#%% t10_eps, tolnlines = 50, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -easy;
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#%% t10_Lij, tolnlines = 50, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -ridiculous;
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#%% t10_sig, tolnlines = 50, tolabs = 1.1e-07, tolrel = 1.9e-08, fld_options = -easy;
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#%% extra_inputs =
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#%% psp_files =
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = S. Mazevet, M. Torrent
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#%% keywords = PAW
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#%% description =
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#%% Tests a PAW conductivity calculation.
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#%% It tests the following parts of the code:
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#%% conducti, conducti_paw, conducti_paw_core, emispec_paw
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#%%<END TEST_INFO>
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