mirror of https://github.com/abinit/abinit.git
66 lines
1009 B
Plaintext
66 lines
1009 B
Plaintext
ndtset 2
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ecut 5
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kptopt1 1
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tolvrs1 1.0D-18
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prtwf1 1
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kptopt2 3
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tolwfr2 1.0D-20
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iscf2 -3
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rfelfd2 2
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rfdir2 1 0 0
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nqpt2 1
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qpt2 3*0
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getwfk2 1
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prtden 0
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prteig 0
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nstep 50
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acell 3*5.43 angstrom
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rprim
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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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occopt 1
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nband 4
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ngkpt 2 2 2
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nshiftk 4
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shiftk
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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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#
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znucl 14
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ntypat 1
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typat 2*1
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natom 2
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xred 3*0 3*1/4
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pp_dirpath "$ABI_PSPDIR"
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pseudos "PseudosTM_pwteter/14si.pspnc"
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#%%<BEGIN TEST_INFO>
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#%% [setup]
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#%% executable = abinit
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#%% test_chain = t81.abi, t82.abi, t83.abi, t84.abi
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#%% [shell]
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#%% post_commands =
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#%% ww_cp t81o_DS1_WFK t82i_WFK;
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#%% ww_cp t81o_DS2_1WF7 t82i_1WF7
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#%% [files]
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#%% files_to_test =
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#%% t81.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, 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 = NC, DFPT, DDK
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#%% description =
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#%% Compute silicon GS and DDK files, in preparation for reading in next test using irdwfk and irdddk.
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#%%<END TEST_INFO>
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