# Test generation of k-point mesh with kptrlatt and shiftk

# Definition of the unit cell
acell 3*10.18          
rprim  0.0  0.5  0.5   
       0.5  0.0  0.5   
       0.5  0.5  0.0   

#Definition of the atom types
ntypat 1          
znucl 14          

#Definition of the atoms
natom 2           
typat 1 1         
xred              
   0.0  0.0  0.0  
   1/4  1/4  1/4  

# Definition of the planewave basis set
ecut  8.0         

#Definition of the SCF procedure
nstep 10          
toldfe 1.0d-6     
diemac 12.0       

# K-point grid has 108 total points and 6 distinct points. 
# Actual minimum periodic distance is 16.161071950338595 Angstroms. Grid does not include gamma point. 
#prtvol 2; prtkpt 2
kptopt 1
kptrlatt
0 6 0 
0 0 6 
3 3 3 
nshiftk 1
shiftk 0.0 1.0 0.5

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/14si.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t03.out, tolnlines=0, tolabs=1.0e-6, tolrel = 0.01
#%% [paral_info]
#%% max_nprocs = 6
#%% [extra_info]
#%% authors = M. Giantomassi
#%% keywords = 
#%% description = Test generation of k-point mesh with kptrlatt and shiftk. 
#%%  version 8.0.8b was stopping at the level of the parser.
#%%<END TEST_INFO>