# FCC Al; 2 special points
# Test the use of dimensional input variables

 ndtset 3

#Dataset 1 standard atomic units
  acell1     3*7.60   bohr
   ecut1      10      hartree
 tsmear1      0.05    hartree

#Dataset 2 usual alternatives
  acell2     3*4.02174678308   angstrom
   ecut2      272.113834      eV
 tsmear2      15788.73357  K    ! Do not forget that this is for occopt=4

#Dataset 3 atomic units or Rydbergs
  acell3     3*7.60   au
   ecut3      20      Ry
 tsmear3      0.05    au

#Common data
 enunit 2
 intxc 1
  kptopt 0
 kpt   1 1 1     1 2 2   kptnrm 4
 natom  1
 nband 4
 nkpt  2
 nline 3
 nstep 8
 ntypat  1
 occopt  4
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 tolwfr 1.0d-16
 typat  1
 wtk   1 3
 xred  0.0 0.0 0.0
 znucl 13.0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosGTH_pwteter/13al.pspgth"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t52.out, tolnlines = 3, tolabs = 1.100e-09, tolrel = 8.000e-05
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Bulk Aluminium, FCC, with 2 special points, occopt=4 and tsmear=0.05 .
#%%   Same as test v1 #1, except use different energy and length units.     
#%%   Test the use of dimensional input variables.
#%%<END TEST_INFO>