# Indium metal, body centered-tetragonal. This test is included to ensure that
# the electric field gradient code properly reflects the symmetry.


prtefg 2 # print all elements of EFG tensor
quadmom 0.770 # In-115 electric quadrupole moment

ecut 5 # should be 15 for a "real" calculation
pawecutdg 6

nstep 5 # set nstep small so test is fast and all platforms stop at the same place

tolvrs 1.0D-12 # this level of convergence will not be reached in 5 steps


#Definition of the elementary cell
#*********************************
   acell 3.25094 3.25094 4.9474 angstrom
   spgroup 139
   brvltt -1
   xred 3*0

#Definition of the atoms
#***********************
   natom 1
   ntypat 1
   znucl 49
   typat 1


   kptopt 1
   kptrlatt 0  -5  -5
           -5   0  -5
            4   4   0

   occopt 3
   tsmear 0.000158 # Fermi-Dirac occupation at low temperature

prteig 0
prtden 0
prtwf 0


 pp_dirpath "$ABI_PSPDIR"
 pseudos "in_ps.abinit.paw"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t44.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0, fld_options =  -medium
#%% [paral_info]
#%% max_nprocs = 18
#%% [extra_info]
#%% authors = J. Zwanziger
#%% keywords = PAW
#%% description = 
#%%   Electric field gradient of indium metal, body-centered tetragonal, included to
#%%   check EFG symmetry in this case.
#%% topics = EFG
#%%<END TEST_INFO>