# He atom in GGA C09x acell 3*5 diemac 1.0d0 diemix 0.5d0 ecut 200 ixc 24 kptopt 0 kpt 3*0.25 natom 1 nband 1 nkpt 1 nline 3 nstep 6 nsym 8 ntypat 1 prtvol 10 rprim 1 0 0 0 1 0 0 0 1 symrel 1 0 0 0 1 0 0 0 1 -1 0 0 0 1 0 0 0 1 1 0 0 0 -1 0 0 0 1 -1 0 0 0 -1 0 0 0 1 1 0 0 0 1 0 0 0 -1 -1 0 0 0 1 0 0 0 -1 1 0 0 0 -1 0 0 0 -1 -1 0 0 0 -1 0 0 0 -1 tnons 24*0 tolwfr 1.0d-14 typat 1 wtk 1 znucl 2 xred 3*0 pp_dirpath "$ABI_PSPDIR" pseudos "02He.revPBEx.fhi" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = #%% t13.abo, tolnlines = 0, tolabs = 1.0e-6, tolrel = 1.0e-4, fld_options = -easy #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% authors = Unknown #%% keywords = #%% description = #%% Isolated Helium atom. #%% Treated with GGA C09x exchange functional (ixc=24). #%% The total energy is -2.7881 Ha. #%% Test taken from v1/t10.in. #%%