mirror of https://github.com/abinit/abinit.git
40 lines
1.1 KiB
Plaintext
40 lines
1.1 KiB
Plaintext
!Input file for the anaddb code. Analysis of the H2 DDB
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!Flags
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ifcflag 1 ! Interatomic force constant flag
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ifcout 0
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thmflag 3
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telphint 1
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!Wavevector grid number 1 (coarse grid, from DDB)
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brav 1 ! Bravais Lattice : 1-S.C., 2-F.C., 3-B.C., 4-Hex.)
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ngqpt 1 1 1 ! Monkhorst-Pack indices
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nqshft 1 ! number of q-points in repeated basic q-cell
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q1shft 3*0.0
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!Interatomic force constant info
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dipdip 0 ! Dipole-dipole interaction treatment
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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 0.00000000E+00 0.00000000E+00 0.00000000E+00 1.0
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = anaddb
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#%% input_ddb = t68o_DS2_DDB
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#%% input_gkk =t68o_DS2_EIGR2D
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#%% test_chain = t68.abi, t69.abi
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#%% [files]
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#%% files_to_test =
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#%% t69.abo, tolnlines = 1, tolabs = 0.0, tolrel = 0.0
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#%% [paral_info]
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#%% max_nprocs = 2
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#%% [extra_info]
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#%% authors = Unknown
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#%% keywords =
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#%% description =
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#%% H2 molecule in a reasonably large box
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#%% Analysis of the test 68 results, using anaddb.
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#%% topics = TDepES
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#%%<END TEST_INFO>
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