# cF lattice of magnesium atoms # Examine the list of k points prtkpt 1 kptopt 1 kptrlen 40.0d0 acell 3*8.0d0 rprim 0.0 0.5 0.5 0.5 0.0 0.5 0.5 0.5 0.0 ecut 4.5 natom 1 nstep 1 ntypat 1 tolvrs 3.0d-20 typat 1 xcart 0.0 0.0 0.0 znucl 12.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/12mg.pspnc" #%% #%% [setup] #%% executable = abinit #%% expected_failure = yes #%% [files] #%% files_to_test = #%% t68.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% keywords = #%% authors = Unknown #%% description = #%% 3D cF lattice: test the sets of k points generated automatically #%%