#GaAs crystal : ground-state with few bands,


#First dataset : SC run with kpoints in the IBZ
  nband   8     
  nstep  30
 irdwfk 0
 prtwant 2
 w90iniprj 2
 useylm 1
# prtdos 3

#Data common to all datasets
  kptopt 0
 nshiftk 1
 shiftk  0.0 0.0 0.0
# kptopt 2
# ngkpt  2  2  2        ! This is much too low : should be at least 24x24x24
 kpt 0.00000 0.00000 0.00000              ! K-points list
     0.00000 0.00000 0.50000
     0.00000 0.50000 0.00000
     0.00000 0.50000 0.50000
     0.50000 0.00000 0.00000
     0.50000 0.00000 0.50000
     0.50000 0.50000 0.00000
     0.50000 0.50000 0.50000
nkpt 8
istwfk 8*1

 acell   3*10.60
 amu 69.72  74.9216
 diemac 10.0
 ecut 20.00             ! This is also too low
# pawecutdg 40.00             ! This is also too low
 ixc 1
 natom  2  
 ntypat  2
 rprim   0 .5 .5  .5 0 .5  .5 .5 0
 xred 3*0.00d0 3*0.25d0
 typat  1 2  tolwfr  1.e-10
 znucl  31 33

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosTM_pwteter/31ga.pspnc, PseudosTM_pwteter/33as.pspnc"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = t01.out, tolnlines=   15,   tolabs=  1.5e-04,   tolrel=  1.00e-01
#%% extra_inputs=t01o_w90.win 
#%% [paral_info]
#%% max_nprocs = 8
#%% [extra_info]
#%% keywords = NC
#%% description = 
#%%  Gallium Arsenide, zinc-blende. 8 bands. prtwant=2
#%%  Should still be completed by the call to wannier90, and subsequent fldiff use...
#%% topics = Wannier
#%%<END TEST_INFO>