# He atom in LDA

acell 3*5
diemac 1.0d0
diemix 0.5d0
ecut 200

irdwfk 1

ixc 7

kptopt 0
kpt 3*0.25
natom 1
nband 1
nkpt 1
nline 2
nstep 2
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"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% input_prefix = t11o
#%% test_chain = t11.in, t12.in, t13.in, t14.in, t15.in, t16.in, t17.in, t18.in, t19.in, t20.in
#%% [files]
#%% files_to_test = t17.out ,tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = NC 
#%% authors = Unknown
#%% description = 
#%%   Isolated Helium atom (see above)
#%%   Treated with LDA, Perdew-Wang 92 (ixc=7).
#%%   The one dimensional treatment
#%%   of this He in the LDA gives the total energy of -2.834 Ha (atom0 code).
#%%   Here, the answer is -2.8280 Ha. 
#%%   Going to 250 Ha cut-off gives -2.8302 Ha.
#%%   Going to 300 Ha cut-off gives -2.8316 Ha.
#%%   Going to 350 Ha cut-off gives -2.8325 Ha.
#%%   For speed-up, it begins with the wavefunctions from test 11.
#%% topics = xc
#%%<END TEST_INFO>