mirror of https://github.com/abinit/abinit.git
43 lines
902 B
Plaintext
43 lines
902 B
Plaintext
# ANADDB input for phonon bands and DOS
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ng2qpt 9 9 9
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ddb_filepath = "t52_mp-149_+0_DDB"
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output_file = "t52.output"
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prtdos 2
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ndivsm 2
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nqpath 2
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qpath
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0.0 0.0 0.0
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0.5 0.0 0.5
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asr 2
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ngqpt 8 8 8
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dipdip 1
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ifcflag 1
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nqshft 1
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q1shft 0 0 0
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nph2l 3
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qph2l
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0.0746462081 -0.1055656799 0.1292910252
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0.0 0.0 0.0
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0.1939365378 0.0 0.0746462081
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0.0527828399 0.1292910252 0.0
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = anaddb
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#%% [shell]
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#%% pre_commands =
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#%% iw_cp t52_mp-149_+0_DDB t52_mp-149_+0_DDB;
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#%% [files]
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#%% files_to_test =
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#%% t52.output, tolnlines = 10, tolabs = 1.1, tolrel = 1.2e-1;
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#%% [paral_info]
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#%% max_nprocs = 24
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#%% [extra_info]
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#%% authors = H. Miranda, M. Giantomassi
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#%% keywords = DFPT
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#%% description =
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#%% Test tolerance in the new integration weights
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#%%<END TEST_INFO>
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