# Ga50In50N test xred treatment in case of tolsym loose.

ecut 3 
tolvrs 1.0d-12
tolsym 1.0d-5

# SCF procedure  
iscf 17
nline 1
nstep 1
ecutsm  0.5
     
# k-point grid
kptopt 1
ngkpt 1 1 1
nshiftk 1         
shiftk   0.0  0.0  0.5

#Definition of the atom types and unit cell
ntypat 3
znucl 49 31 7
natom 8  
typat 1 1 2 2 3 3 3 3 
# This set of position is slightly inaccurate, symmetries will not be found with the usual tolsym, 
# but will be recognized with tolsym 1.0d-5
xred   2/3   1/3     0.250179499   #In
       2/3   1/3     0.750179529   #In
       1/3   2/3     0.000179500   #Ga
       1/3   2/3     0.500179529   #Ga
       2/3   1/3     0.439820498   #N
       2/3   1/3     0.939820528   #N
       1/3   2/3     0.189820498   #N
       1/3   2/3     0.689820528   #N
acell   5.6691783749808  5.6691783749808  20.7869873749295
angdeg 90 90 120
chkprim 0

 pp_dirpath "$ABI_PSPDIR/Pseudodojo_nc_sr_04_pbe_standard_psp8"
 pseudos "In.psp8, Ga.psp8, N.psp8"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test =
#%%   t16.out, tolnlines = 0, tolabs = 0.0, tolrel = 0.0;
#%% [paral_info]
#%% max_nprocs = 4
#%% [extra_info]
#%% authors = X. Gonze
#%% keywords = PAW
#%% description =
#%%   Ga50In50N, GGA, PAW.
#%%   Test correct treatment of atomic positions that are slightly inaccurate
#%%   Was mistreated prior to ABINITv9.2
#%% topics = PAW
#%%<END TEST_INFO>