# He atom with Fermi-Amaldi xc . acell 3*5 diemac 1.0d0 diemix 0.5d0 ecut 200 ixc 20 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.bare" #%% #%% [setup] #%% executable = abinit #%% [files] #%% files_to_test = t30.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00 #%% [paral_info] #%% max_nprocs = 1 #%% [extra_info] #%% keywords = NC #%% authors = Unknown #%% description = #%% Helium atom in a box, with Fermi-Amaldi correction (ixc=20), that for #%% Z=2, is equivalent to OEP or Hartree-Fock. Otherwise, similar to test 11. #%% topics = xc #%%