mirror of https://github.com/abinit/abinit.git
25 lines
889 B
Plaintext
25 lines
889 B
Plaintext
tfold2bloch_1o_DS2_WFK # WFK file
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1 2 3 # x y z integers giving the multiplicity
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# in the corresponding directions used when constructing the supercell
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##############################################################
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# This section is used only for regression testing of ABINIT #
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##############################################################
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = fold2Bloch
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#%% test_chain = tfold2bloch_1.abi, tfold2bloch_2.abi
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#%% [files]
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#%% files_to_test =
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#%% tfold2bloch.f2b, tolnlines=100, tolabs=0.1, tolrel=0.2;
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = O. Rubel
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#%% keywords = FOLD2BLOCH
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#%% description =
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#%% H6 Supercell
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#%% Generates a 6 atom Hydrogen supercell with the multiplicity of 1:2:3 (x:y:z)
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#%% Produce WFK file to be analyzed with fold2bloch
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#%%<END TEST_INFO>
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