mirror of https://github.com/abinit/abinit.git
59 lines
910 B
Plaintext
59 lines
910 B
Plaintext
# Test wavelet run on surface
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natom 4
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ntypat 1
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znucl 6
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typat 4*1
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xred 0 0.5 0
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0 0.5 1/3
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0.5 0.5 0.5
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0.5 0.5 5/6
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acell 4.61388 40.0 7.99146
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usewvl 1
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ixc 1
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wvl_hgrid 0.35
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wvl_crmult 5
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wvl_frmult 8
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icoulomb 2
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nwfshist 6
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wvl_nprccg 3
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wvl_bigdft_comp 1 #to follow the BigDFT workflow
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nsym 1
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chksymbreak 0
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tolwfr 1e-4
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optstress 0
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prtden 0
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#kpoints
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kptopt 1
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ngkpt 3 1 1
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nshiftk 1
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shiftk 0 0 0
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istwfk *1
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nkpt 2
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pp_dirpath "$ABI_PSPDIR"
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pseudos "PseudosHGH_pwteter/6c.4.hgh"
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = abinit
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#%% need_cpp_vars = !HAVE_MPI_IO_DEFAULT, !HAVE_NETCDF_DEFAULT
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#%% [files]
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#%% files_to_test =
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#%% t07.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = D. Caliste
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#%% keywords =
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#%% description = Graphene. Test wavelet run on surface
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#%% topics = Wavelets
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#%%<END TEST_INFO>
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