mirror of https://github.com/abinit/abinit.git
52 lines
1.3 KiB
Plaintext
52 lines
1.3 KiB
Plaintext
#################################################################
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# Automatic test for ABINIT: #
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# Test the inclusion of a file in an input file #
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# #
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# Silicon, 2 atoms in the box MT 2012 #
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#################################################################
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!Unit cell
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acell 3*5.43 angstrom
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rprim 0 1/2 1/2
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1/2 0 1/2
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1/2 1/2 0
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ntypat 1 natom 2 typat 2*1
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znucl 14
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xred 0 0 0
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1/4 1/4 1/4
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nband 4 occopt 1
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!K-points from include file
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include "kpoints.include"
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!Convergence parameters
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ecut 7. pawecutdg 12.
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nstep 50 tolvrs 1.d-10
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!Miscelaneous
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prtwf 0 prteig 0 prtden 0 ! To save disk space
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pp_dirpath "$ABI_PSPDIR"
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pseudos "si_ps.736.lda"
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = abinit
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#%% [shell]
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#%% pre_commands = iw_cp t02.in.include kpoints.include
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#%% [files]
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#%% files_to_test =
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#%% t02.abo, tolnlines = 0, tolabs = 0.0, tolrel = 0.0
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#%% [paral_info]
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#%% max_nprocs = 6
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#%% [extra_info]
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#%% authors = M. Torrent
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#%% keywords = PAW
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#%% description =
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#%% Test the possibility to include a file into an input file
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#%% Diamond silicon with few k-points and low cut-off
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#%% The set of k-points is included in input file from another file
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#%%<END TEST_INFO>
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