mirror of https://github.com/abinit/abinit.git
36 lines
1.1 KiB
Plaintext
36 lines
1.1 KiB
Plaintext
!Input file for the anaddb code. Analysis of the C DDB
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!Flags
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thmflag 7
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# Use standard set of temperatures (default for ntemper, tempermin, temperinc)
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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 2 2 2 ! Monkhorst-Pack indices
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nqshft 1 ! number of q-points in repeated basic q-cell
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q1shft 0.0 0.0 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 0 ! number of phonons in list 1
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = anaddb
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#%% test_chain = t50.abi, t51.abi, t52.abi, t53.abi, t54.abi
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#%% input_ddb = t52.ddb.out
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#%% input_gkk = t53.ddb.out
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#%% [files]
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#%% files_to_test =
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#%% t54.abo, tolnlines = 11, tolabs = 2.0e-7, tolrel = 5.0e-4, fld_options = -medium
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#%% [paral_info]
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#%% max_nprocs = 2
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#%% [extra_info]
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#%% authors = S. Ponc\'e
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#%% keywords =
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#%% description = Use anaddb to compute the T-dependent correction of electronic structure.
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#%% topics = TDepES
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#%%<END TEST_INFO>
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