#GaAs
ndtset  4

#DATASET 1 : SC run 
  prtden1  1 
   ngkpt1  4 4 4   
  kptopt1  1

#DATASET 2 : NSC run, using the symmetries => in the IZB
 kptopt2   1
  ngkpt2  4 4 10
   iscf2  -2     
 getwfk2   1   
 getden2   1

#DATASET 3 : NSC run in the full BZ, used to compute the Berry phase
berryopt3 1
nberry3   2 
bdberry3  1 4
kberry3   0 0  1
          0 0 -1

kptopt3    2
 ngkpt3  4 4 10 
  iscf3  -2
getwfk3   2
getden3   1

#DATASET 4 : NSC run in the full BZ, used to compute the Berry phase (berryopt -1)
berryopt4 -1
   rfdir4  0 0 1
  kptopt4    1
   ngkpt4  4 4 10
    iscf4  -2
  getwfk4   2
  getden4   1

#Common data
 shiftk 0.5 0.5 0.5
 chksymbreak 0
 
 acell   3*10.52
 amu 69.72  74.9216
 diemac 6.0
 ecut 6.00
 ixc 3
 natom  2 
 nband 4
 nbdbuf 0
 nstep 250
 ntypat  2
 occopt 1
 rprim   0.0 0.5 0.5  
         0.5 0.0 0.5  
         0.5 0.5 0.0

 xred 3*0.00d0 3*0.25d0
 tnons 72*0.0
 tolwfr 1.0d-22
 typat  1 2  
 znucl  31 33


 pp_dirpath "$ABI_PSPDIR"
 pseudos "31ga.SGS_mod, 33as.SGS_mod"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = tsv2_82.out, tolnlines=  0, tolabs=  1.209e-11, tolrel=  6.000e-06
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = NC, DFPT
#%% description = 
#%%   GaAs, zinc-blende structure.
#%%   Compute Berry phase along 0 0 1, using a 4x4x10 sampling.
#%%<END TEST_INFO>