# Bidimensional layer of magnesium atoms # Square lattice, without mirror symmetry. # Examine the list of k points prtkpt 1 kptopt 1 kptrlen 60.0d0 acell 2*12.0d0 10.0d0 ecut 4.5 natom 4 nstep 1 ntypat 1 tolvrs 3.0d-20 typat 4*1 xcart 3.0 1.0 0.0 -1.0 3.0 0.0 -3.0 -1.0 0.0 1.0 -3.0 0.0 znucl 12.0 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosTM_pwteter/12mg.pspnc" #%% #%% [setup] #%% executable = abinit #%% expected_failure = yes #%% [files] #%% files_to_test = #%% t63.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% keywords = #%% authors = Unknown #%% description = #%% 2D 4 point symmetry: test the sets of k points generated automatically #%% topics = k-points #%%