mirror of https://github.com/abinit/abinit.git
61 lines
1.2 KiB
Plaintext
61 lines
1.2 KiB
Plaintext
#Print the density and the wf in parallel in the first dataset
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#then read it. Run in parallel using accesswf=1
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ndtset 2
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prtden1 1
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getden2 -1
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getwfk2 -1
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#------------------------------------------------------
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# A simple calculation on silicon
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occopt 7 tsmear 0.001
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kptopt 1
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nkpt 1 ngkpt 1 1 1 shiftk 0 0 0 istwfk 1
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toldfe 1.0d-10
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nstep 4
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ecut 5.0 diemac 12.0 enunit 2
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ngfft 8 8 8
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ixc 3
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acell 3*10.366
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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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xred 0.0 0.0 0.0
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0.22 0.22 0.22
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chksymtnons 0
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znucl 14
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nband 8
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ntypat 1 typat 1 1 natom 2
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timopt -1
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np_spkpt 1
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npband 2
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bandpp 1
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npfft 2
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paral_kgb 1
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#Obsolete entries (now set by default)
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#fftalg 401 wfoptalg 4
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#densfor_pred 6 intxc 0
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#iomode 1
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#nsym 0
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pp_dirpath "$ABI_PSPDIR"
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pseudos "14si.phoney_mod"
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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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#%% [paral_info]
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#%% nprocs_to_test = 4
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#%% max_nprocs = 4
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#%% [NCPU_4]
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#%% files_to_test = t49_MPI4.abo, tolnlines= 26, tolabs= 2.0e-8, tolrel= 4.0e-7
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#%% [extra_info]
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#%% keywords = NC
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#%% authors = Unknown
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#%% description =
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#%% Si, Bulk, 2 atoms , parallel IO. Test of ground state
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#%% Only with 4 procs, no sequential version (tests accesswf 1)
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#%%<END TEST_INFO>
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