# Most trivial case: single H atom

acell 3*7
diemac 1.0d0
diemix 0.5d0
ecut 70

irdwfk 1

ixc 7

kptopt 0
kpt 3*0.25
natom 1
nband 1
nkpt 1
nline 2
nsppol 2
nstep 2
nsym 8
ntypat 1
occ 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 1
xred 3*0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "01h.bare"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit 
#%% input_prefix = t21o 
#%% test_chain = t21.in, t22.in, t23.in, t24.in
#%% [files]
#%% files_to_test = t22.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% keywords = NC 
#%% authors = Unknown
#%% description = 
#%%   Isolated Hydrogen atom (see above)
#%%   Treated with LSD, Perdew-Wang 92 (ixc=7).
#%%   The one dimensional treatment
#%%   of H in the LSD gives the total energy of -13.00 eV, that is -0.478 Ha
#%%   see J.P. Perdew et al , Phys. Rev. B 46, 6671 (1992)  
#%%   (maybe not very accurate!)
#%%   Here, the answer is -0.4792 Ha.
#%%   Going to 100 Ha cut-off gives -0.4795 Ha.
#%%   Going to 150 Ha cut-off gives -0.4798 Ha.
#%%   Keeping 70 Ha cut-off, but going to 0.002 bohr decay length gives 
#%%   a lowering in energy on the order of 0.00003 Ha.
#%%   Increasing the cell size to 8x8x8, while keeping ecut to 70 Ha cut-off
#%%   and 0.005 bohr decay length gives -0.4783 Ha.
#%%   For speed-up, it begins with the wavefunctions from test 21.
#%% topics = xc
#%%<END TEST_INFO>