# single H atom, Fermi-Amaldi xc, so this corresponds to the real H atom

ixc       20

ndtset    2

acell1    3*30
ecut1     25
typat1    1

effmass_free2  10
acell2    3*3
ecut2     2500
typat2    2

diemac    1.0d0
diemix    0.5d0

kptopt    0
kpt       3*0.25
nkpt      1

natom     1
nband     2
nline     3
nsppol    2
nstep     2
ntypat    2
tolwfr    1.0d-14
znucl     2*1
xred      3*0

# Avoid printing Wavefunction and Density
prtden    0
prtwf     0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "01h.bare, 01h.bare2"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit 
#%% [files]
#%% files_to_test = t25.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. Treated with the Fermi-Amaldi correction (ixc=20), so that this
#%%  corresponds to exact cancellation of the Hartree and XC contributions,
#%%  as it should for Hydrogen atom.
#%%  Examine the 1s-2s splitting, that should be equal to 0.375 Ha,
#%%  and is obtained at 0.368 Ha (so within 2%), with the chosen ecut and acell.
#%%  This quantity converges much faster to the correct value than either the total 
#%%  energy or the 1s eigenenergy.
#%%  Also test effmass_free. A value 10 times bigger than the usual electron mass
#%%  leads to a 10-fold contraction of the system. The 1s-2s splitting is
#%%  multiplied by 10 exactly, provided ecut, acell and the smearing of the
#%%  potential at origin are scaled appropriately.
#%% topics = xc, Artificial
#%%<END TEST_INFO>