mirror of https://github.com/abinit/abinit.git
59 lines
2.4 KiB
Plaintext
59 lines
2.4 KiB
Plaintext
&FILES
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ddkfile_1 = 't47o_DS4_EVK.nc',
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ddkfile_2 = 't47o_DS5_EVK.nc',
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ddkfile_3 = 't47o_DS6_EVK.nc',
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wfkfile = 't47o_DS3_WFK'
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/
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&PARAMETERS
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broadening = 0.001,
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domega = 0.002,
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maxomega = 0.3,
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scissor = 0.000,
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tolerance = 0.001,
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do_antiresonant = .FALSE.,
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/
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&COMPUTATIONS
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num_lin_comp = 3,
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lin_comp = 11,33,23,
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num_nonlin_comp = 2,
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nonlin_comp = 123,222,
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num_linel_comp = 2,
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linel_comp = 123,222,
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num_nonlin2_comp = 2,
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nonlin2_comp = 123,222,
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/
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = optic
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#%% test_chain = t47.abi, t48.abi, t49.abi
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#%% [files]
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#%% files_to_test =
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#%% t49_0001_0001-linopt.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
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#%% t49_0002_0003-linopt.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
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#%% t49_0001_0002_0003-ChiRe.out , tolnlines = 2, tolabs = 1.1e-06, tolrel = 4.0e-07;
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#%% t49_0001_0002_0003-ChiIm.out , tolnlines = 115, tolabs = 1.1e-04, tolrel = 3.0e-06;
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#%% t49_0001_0002_0003-ChiAbs.out , tolnlines = 4, tolabs = 1.1e-05, tolrel = 2.2e-07;
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#%% t49_0001_0002_0003-ChiTotRe.out , tolnlines = 5, tolabs = 1.1e-03, tolrel = 2.0e-07;
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#%% t49_0002_0002_0002-ChiRe.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
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#%% t49_0001_0002_0003-ChiEORe.out , tolnlines = 1, tolabs = 1.1e-05, tolrel = 2.0e-07;
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#%% t49_0001_0002_0003-ChiEOIm.out , tolnlines = 84, tolabs = 1.1e-06, tolrel = 2.0e-06;
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#%% t49_0001_0002_0003-ChiEOAbs.out , tolnlines = 1, tolabs = 1.1e-06, tolrel = 5.5e-08;
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#%% t49_0001_0002_0003-ChiEOTotRe.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
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#%% t49_0002_0002_0002-ChiEORe.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
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#%% t49_0001_0002_0003-ChiSHGRe.out , tolnlines = 1, tolabs = 1.1e-05, tolrel = 2.0e-07;
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#%% t49_0001_0002_0003-ChiSHGIm.out , tolnlines = 119, tolabs = 1.1e-05, tolrel = 5.0e-05;
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#%% t49_0001_0002_0003-ChiSHGAbs.out , tolnlines = 5, tolabs = 1.1e-04, tolrel = 4.0e-07;
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#%% t49_0001_0002_0003-ChiSHGTotRe.out, tolnlines = 1, tolabs = 1.1e-07, tolrel = 1.1e-07;
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#%% t49_0002_0002_0002-ChiSHGRe.out , tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00;
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#%%
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#%% [paral_info]
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#%% max_nprocs = 4
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#%% [extra_info]
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#%% authors = M. Giantomassi
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#%% keywords =
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#%% description =
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#%% GaAs, zinc-blende structure. Code optic. Use DDK files in netcdf format. Should produce same results as t48
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#%% topics = Optic
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#%%<END TEST_INFO>
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