mirror of https://github.com/abinit/abinit.git
72 lines
978 B
Plaintext
72 lines
978 B
Plaintext
ndtset 3
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kptopt1 1
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tolvrs1 1.0D-20
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nqpt1 0
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prtwf1 1
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getwfk1 0
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rfddk2 1
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iscf2 -3
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rfelfd3 2
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iscf3 -3
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kptopt 3
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nqpt 1
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qpt 3*0
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tolwfr 1.0D-20
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getwfk 1
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rfdir 1 0 0
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prtwf 0
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prtden 0
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prteig 0
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ecut 5
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pawecutdg 20
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nband 4
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nstep 5
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ngkpt 2 2 2
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nshiftk 4
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shiftk 3*1/2
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1/2 0 0
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0 1/2 0
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0 0 1/2
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acell 3*5.43 angstrom
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rprim 0.0 0.5 0.5
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0.5 0.0 0.5
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0.5 0.5 0.0
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znucl 14
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ntypat 1
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typat 1 1
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occopt 1
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natom 2
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xred 3*0 3*1/4
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diemac 12.0
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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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#%% [files]
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#%% files_to_test =
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#%% t30.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = -easy
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#%% [paral_info]
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#%% max_nprocs = 1
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#%% [extra_info]
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#%% authors = J. Zwanziger
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#%% keywords = PAW, DFPT, DDK
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#%% description =
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#%% Compute DDK response in PAW formalism for two different but equivalent input
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#%% variables: rfddk 1, rfelfd 2
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#%% topics = DFPT
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#%%<END TEST_INFO>
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