#Preparation for positron calculation
#FCC Al crystal, with a conventional cell (only 4 atoms per cell)

prtden 1

acell 3*7.7925
rprim 1.0 0.0 0.0
      0.0 1.0 0.0
      0.0 0.0 1.0
ntypat 1
znucl 13
natom 4
typat 4*1
xred
0.0 0.0 0.0
0.5 0.5 0.0
0.5 0.0 0.5
0.0 0.5 0.5
chkprim 0

ecut 12.0
nband 15

kptopt 1
ngkpt 4 4 4

nstep 20
toldfe 1.0d-9
occopt 7
tsmear 5.0d-3

 pp_dirpath "$ABI_PSPDIR"
 pseudos "13al.psppos"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% test_chain = t95.in, t96.in
#%% [files]
#%% files_to_test = 
#%%   t95.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [shell]
#%% post_commands = ww_cp t95o_DEN t96i_DEN
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown 
#%% keywords = 
#%% description = 
#%%   Al FCC, in conventional cell (4 atoms/cell).
#%%   Preparation of the positron calculation, test#96.
#%% topics = positron
#%%<END TEST_INFO>