mirror of https://github.com/abinit/abinit.git
43 lines
1.4 KiB
Plaintext
43 lines
1.4 KiB
Plaintext
#Input file for the anaddb code. Analysis of a restricted SiO2 DDB
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#Will use only the Gamma point information : compute
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#Compute LO-TO splitting for different directions,
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#as well as the dielectric tensor at zero frequency
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#Flags
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dieflag 1 ! Frequency-dependent Dielectric tensor flag
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#Effective charges
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chneut 2 ! Charge neutrality requirement for effective charges.
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! 2=> imposed with weights proportional to screening)
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#Wavevector list number 1 (Reduced coordinates and normalization factor)
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nph1l 1 ! Number of phonons in list 1
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qph1l 0.0 0.0 0.0 1.0
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#Wavevector list number 2 (Gamma point only, with limiting direction
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# in cartesian coordinates. )
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nph2l 2 ! Number of phonons in list 2
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qph2l 1.0 0.0 0.0 0.0
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0.0 0.0 1.0 0.0
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# Not the default value, to keep temporal continuity with older versions
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symdynmat 0
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = anaddb
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#%% use_files_file = yes
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#%% [files]
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#%% files_to_test = t13.abo, tolnlines = 0, tolabs = 0.0e+00, tolrel = 0.0e+00
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#%% extra_inputs = t13.ddb.in.gz
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#%% [paral_info]
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#%% max_nprocs = 4
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#%% [extra_info]
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#%% authors = Unknown
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#%% description =
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#%% Analyze a simple DDB for quartz, but do not test interatomic
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#%% force constants (see test 15 for this). Compute phonon frequencies
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#%% at gamma with and without LO-TO splitting.
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#%% topics = Phonons
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#%%<END TEST_INFO>
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