# Test wavelet run on surface natom 4 ntypat 1 znucl 6 typat 4*1 xred 0 0.5 0 0 0.5 1/3 0.5 0.5 0.5 0.5 0.5 5/6 acell 4.61388 40.0 7.99146 usewvl 1 ixc 1 wvl_hgrid 0.35 wvl_crmult 5 wvl_frmult 8 icoulomb 2 nwfshist 6 wvl_nprccg 3 wvl_bigdft_comp 1 #to follow the BigDFT workflow nsym 1 chksymbreak 0 tolwfr 1e-4 optstress 0 prtden 0 #kpoints kptopt 1 ngkpt 3 1 1 nshiftk 1 shiftk 0 0 0 istwfk *1 nkpt 2 pp_dirpath "$ABI_PSPDIR" pseudos "PseudosHGH_pwteter/6c.4.hgh" #%% #%% [setup] #%% executable = abinit #%% need_cpp_vars = !HAVE_MPI_IO_DEFAULT, !HAVE_NETCDF_DEFAULT #%% [files] #%% files_to_test = #%% t07.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = D. Caliste #%% keywords = #%% description = Graphene. Test wavelet run on surface #%% topics = Wavelets #%%