#   FCC Al; 2 special points
#   XML data from ATOMPAW designed for the code ABINIT

 ndtset 8
 
 acell 3*7.60
 ecut 10
 enunit 2
 intxc 1
 kptopt 0
 kpt   1 1 1     1 2 2   kptnrm 4
 natom  1
 nband 4
 nkpt  2
 nline 3
 nstep 10
 nsym  24 ntypat  4
 occopt  4  
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 symrel
       1  0  0    0  1  0    0  0  1
       0  1 -1    1  0 -1    0  0 -1
      -1  0  0   -1  0  1   -1  1  0
       0 -1  1    0 -1  0    1 -1  0
      -1  0  1   -1  0  0   -1  1  0
       0 -1  0    0 -1  1    1 -1  0
       0 -1  1    1 -1  0    0 -1  0
       0  1 -1    0  0 -1    1  0 -1
       0  0 -1    1  0 -1    0  1 -1
      -1  1  0   -1  0  1   -1  0  0
       1  0 -1    0  1 -1    0  0 -1
       1 -1  0    0 -1  0    0 -1  1
      -1  0  0   -1  1  0   -1  0  1
       0  1  0    1  0  0    0  0  1
       0  0  1    0  1  0    1  0  0
       1  0  0    0  0  1    0  1  0
       0  0  1    1  0  0    0  1  0
       0  1  0    0  0  1    1  0  0
      -1  0  1   -1  1  0   -1  0  0
       0  0 -1    0  1 -1    1  0 -1
       1  0 -1    0  0 -1    0  1 -1
       1 -1  0    0 -1  1    0 -1  0
       0 -1  0    1 -1  0    0 -1  1
      -1  1  0   -1  0  0   -1  0  1
 tnons   72*0.0d0
 tolwfr 1.0d-16
 tsmear 0.05
 wtk   1 3
 xred  0.0 0.0 0.0
 znucl 13.0 13.0 13.0 13.0
# standart format for PAW data
 typat1  1 
 usexcnhat1 0
 typat2  1
 usexcnhat2 1
# XML format for PAW data with bloechl formalism
 typat3  2 
 usexcnhat3 0
 typat4  2 
 usexcnhat4 1
# XML format for PAW data with v_bare formalism
 typat5  3 
 usexcnhat5 0
 typat6  3 
 usexcnhat6 1
# XML format for PAW data with kresse formalism
 typat7  4 
 usexcnhat7 0
 typat8  4 
 usexcnhat8 1


   pawmixdg 1
  pawecutdg 15

 pp_dirpath "$ABI_PSPDIR"
 pseudos "Al.GGA-PBE-paw.abinit, Al.GGA-PBE-paw.abinit.xml, Al.GGA-PBE-paw.abinit_vb.xml, Al.GGA-PBE-paw.abinit_kj.xml"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = t60.out, tolnlines=149, tolabs=6.00e-05, tolrel=2.00e-05
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = F. Jollet
#%% keywords = PAW
#%% description = Bulk aluminum, with and without PAW XML data (FJollet)
#%%<END TEST_INFO>