mirror of https://github.com/abinit/abinit.git
36 lines
1.1 KiB
Plaintext
36 lines
1.1 KiB
Plaintext
t23.ddb.out
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DDB for BaTiO3-cubic, a=7.5589, 45Ha, 10SP IBZ, SCI=0. (G and X only)
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14
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t23.ddb.Ba.G.in
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t23.ddb.Ti.G.in
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t23.ddb.O1.G.in
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t23.ddb.O2.G.in
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t23.ddb.Ef.G.in
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t23.ddb.Bax.X.in
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t23.ddb.Baz.X.in
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t23.ddb.O1x.X.in
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t23.ddb.O1y.X.in
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t23.ddb.O1z.X.in
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t23.ddb.O2x.X.in
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t23.ddb.O2z.X.in
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t23.ddb.Tix.X.in
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t23.ddb.Tiz.X.in
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = mrgddb
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#%% test_chain = t23.abi, t24.abi
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#%% [files]
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#%% files_to_test =
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#%% t23.ddb.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
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#%% extra_inputs = t23.ddb.Ba.G.in.gz, t23.ddb.Ti.G.in.gz, t23.ddb.O1.G.in.gz, t23.ddb.O2.G.in.gz, t23.ddb.Ef.G.in.gz, t23.ddb.Bax.X.in.gz, t23.ddb.Baz.X.in.gz, t23.ddb.O1x.X.in.gz, t23.ddb.O1y.X.in.gz, t23.ddb.O1z.X.in.gz, t23.ddb.O2x.X.in.gz, t23.ddb.O2z.X.in.gz, t23.ddb.Tix.X.in.gz, t23.ddb.Tiz.X.in.gz
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% keywords =
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#%% authors = Unknown
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#%% description =
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#%% Generates a DDB for BaTiO3 containing only the 2DTEs at the
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#%% (0 0 0) and (1/2 0 0) q-points. This is a standalone test of MRGDDB.
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#%%<END TEST_INFO>
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