#  Single Ta atom in a big box (BCC), treated with spin-orbit coupling.

 acell 3*12.00
 ecut 5
 enunit 2
 kptopt 0

 nkpt  1
 intxc 1
 istwfk 1
 kpt  0.0 0.0 0.0
 ixc 2
 natom  1 nband 18
 nspinor 2
 nline 5  nstep 10
 ntypat  1
 occopt  7
 rprim   0.5 .5 -.5 -.5 0.5 .5 .5 -.5 0.5
 toldfe 1.0d-7
 tsmear 0.01
 typat  1
 xred  0.0 0.0 0.0
 znucl 73.0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "73ta.tm_so"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t86.out, tolnlines = 8, tolabs = 1.100e-08, tolrel = 4.000e-09
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = 
#%% authors =  F. Jollet
#%% description = 
#%%   Ta, single atom in a box (1k point).
#%%   Same test as t84, but with a different pseudopotential.
#%%   Troullier pseudopotential. Same number of bands as test 84.
#%%   Ecut (5Ha) and acell (12 Bohr) are NOT realistic.
#%%<END TEST_INFO>