mirror of https://github.com/abinit/abinit.git
49 lines
1016 B
Plaintext
49 lines
1016 B
Plaintext
# He atom : reference test (very quick) for all LibXC functionals. nstep=1, nline=1.
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# Not accurate, only portability check.
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# Similar to t04, but for one functional that does not work on all workers.
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ndtset 1
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ixc1 -104131
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#Common data
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acell 3*5
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diemac 1.0d0
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diemix 0.5d0
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ecut 50
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kptopt 0
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kpt 3*0.25
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natom 1
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nband 1
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nkpt 1
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nline 1
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nstep 1
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ntypat 1
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tolwfr 1.0d-14
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typat 1
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znucl 2
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xred 3*0
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pp_dirpath "$ABI_PSPDIR"
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pseudos "02he.bare"
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = abinit
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#%% exclude_builders = bob_gnu_13.2_openmp
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#%% [files]
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#%% files_to_test =
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#%% t34.abo, tolnlines = 38, tolabs = 1.1e-2, tolrel = 8.0e-6, fld_options = -medium
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = Unknown
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#%% keywords = MINIMAL
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#%% description =
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#%% Isolated Helium atom
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#%% Test one functional from libXC that was present in ABINITv5 (LDAs and GGAs).
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#%% This is to check the portability for different platform.
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#%% Extremely quick (nstep=1, nline=1).
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#%%<END TEST_INFO>
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