mirror of https://github.com/abinit/abinit.git
52 lines
953 B
Plaintext
52 lines
953 B
Plaintext
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ecut 10
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ecutsm 0.5
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# Interpolation
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optdriver 7
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eph_task 5
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qptopt 1
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ddb_ngqpt 2 2 2
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ddb_shiftq 0.0 0.0 0.0
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eph_ngqpt_fine 4 4 4
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prtphdos 0
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# Dummy parameters
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tolvrs 1.0e-10
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ngkpt 1 1 1
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nshiftk 1
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shiftk 0.0 0.0 0.0
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# Structure
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acell 3*6.70346805
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rprim 0 .5 .5 .5 0 .5 .5 .5 0
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natom 2
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typat 1 1
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xred 3*0.0 3*0.25
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ntypat 1
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znucl 6
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pp_dirpath "$ABI_PSPDIR"
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pseudos "PseudosTM_pwteter/6c.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 = t61.abi, t62.abi, t63.abi, t64.abi, t65.abi
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#%% [shell]
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#%% pre_commands =
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#%% ww_cp t62o_DDB t65i_DDB;
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#%% ww_cp t63o_DVDB t65i_DVDB
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#%% [files]
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#%% files_to_test =
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#%% t65.abo, tolnlines = 20, tolabs = 1.1e-3, tolrel = 0.04
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#%% [paral_info]
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#%% max_nprocs = 10
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#%% [extra_info]
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#%% authors = G. Antonius
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#%% keywords = NC, DFPT, EPH, MINIMAL
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#%% description =
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#%% Testing of the phonon potential interpolation routines.
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#%%<END TEST_INFO>
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