mirror of https://github.com/abinit/abinit.git
79 lines
1.6 KiB
Plaintext
79 lines
1.6 KiB
Plaintext
# turn on calculation of the electron-phonon quantities
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elphflag 1
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ifltransport 1
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ep_keepbands 1
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ep_scalprod 1
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# Path in reciprocal space along which the phonon linewidths
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# and band structure will be calculated
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nqpath 7
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qpath
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0.0 0.0 0.0
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1/2 1/2 0.0
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1 1 1
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1/2 1/2 1/2
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1/2 1/2 0.0
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1/2 3/4 1/4
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1/2 1/2 1/2
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# Coulomb pseudopotential parameter
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mustar 0.136
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# Minimalistic qpoint grid
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ngqpt 2 2 2
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# Use standard set of temperatures (default for ntemper, tempermin, temperinc)
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# impose acoustic sum rule in a symmetric way
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asr 2
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dipdip 0
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chneut 0
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# bravais lattice necessary
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brav 1
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# qpt grid
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nqshft 1
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q1shft 0.0 0.0 0.0
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#
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ifcflag 1
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ifcout 0
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ifcana 1
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# ifc for all atoms?
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natifc 0
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atifc 1 2 3
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# print dielectric matrix with freq dependence
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dieflag 0
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# print out eigenvectors and symmetrize dyn matrix
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eivec 1
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#Wavevector list number 1 (Reduced coordinates and normalization factor)
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nph1l 1
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qph1l
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0.00000000E+00 0.00000000E+00 0.00000000E+00 1
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# Test with non-default value of symdynmat
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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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#%% exclude_builders = eos_gnu_13.2_serial
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#%% input_ddb = t86.ddb.out
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#%% input_gkk = t87o
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#%% test_chain = t85.abi, t86.abi, t87.abi, t88.abi, t89.abi, t90.abi, t91.abi, t92.abi, t93.abi, t94.abi, t95.abi
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#%% [files]
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#%% files_to_test =
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#%% t89.abo, tolnlines = 6, tolabs = 2.000e-04, tolrel = 7.000e-06
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#%% extra_inputs = t89.ddk
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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 = anaddb electron-phonon run with transport
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#%% topics = PhononWidth, ElPhonTransport
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#%%<END TEST_INFO>
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