# Test Al XML pseudopotential - ATOM

natom   1
ntypat  1
typat   1
znucl   13
ndtset   3
ecut1   7.00
ecut2   8.00
ecut3   9.00
acell   3.97    3.97    3.97 Angstrom
rprim   0.0     0.5     0.5 
        0.5     0.0     0.5
        0.5     0.5     0.0
xred  0.000  0.000 0.000
natrd   1
natfix  1
iatfix  1
optcell 0
dilatmx 1.1
ecutsm  0.5
nband   10
kptopt  1
ngkpt  10 10 10
nshiftk 4
shiftk  0.5 0.5 0.5
        0.5 0.0 0.0
        0.0 0.5 0.0
        0.0 0.0 0.5
iscf    5
nstep   30
toldfe  1.0d-8
occopt  3
tsmear  0.01
ionmov     0
ntime      0
prtden     0
prtpot     0
prtvha     0
prtvhxc    0
prtvxc     0
prt1dm     0
ixc -101130

 pp_dirpath "$ABI_PSPDIR"
 pseudos "13_Al_atom.psml"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%  t11.out, tolnlines = 1, tolabs = 1.1e-06, tolrel = 2.00e-04
#%% [paral_info]
#%% max_nprocs = 8
#%% [extra_info]
#%% authors = Y. Pouillon, J. Junquera
#%% keywords = NC
#%% description = 
#%%   Partial cut-off energy convergence study of bulk FCC aluminium
#%%<END TEST_INFO>