#################################################################
# Automatic test for ABINIT:                                    #
#    Test of several variables reserved to experienced users:   #
#       bxctmindg, iboxcut, mqgriddg                            #
#                                                               #
#              Silicon, 2 atoms in the box              MT 2009 #
#################################################################

# Datasets definition
  ndtset 2

! First dataset uses the default values
! In second dataset, keyword are explicitely modified
  bxctmindg2 1.6  ! (default 2.0 )
  iboxcut2   1    ! (default 1   )
  mqgriddg2  3501 ! (default 3001)

#########################
# Common input parameters
  ! Unit cell
    acell 3*5.43 angstrom
    rprim 0   1/2 1/2
          1/2 0   1/2
          1/2 1/2 0
    ntypat 1  natom 2  typat 2*1
    znucl 14
    xred 0   0   0
         1/4 1/4 1/4

  ! K-points and occupations
    kptopt 1
    ngkpt 2 2 2
    nshiftk 4
    shiftk 1/2 1/2 1/2
           1/2 0   0
           0   1/2 0
           0   0   1/2
    occopt 1
    nband 4

  ! Convergence parameters
    ecut 7. pawecutdg 12.
    nstep 50  tolvrs 1.d-10

!   Miscelaneous
    prtwf 0 prteig 0 prtden 0 ! To save disk space


 pp_dirpath "$ABI_PSPDIR"
 pseudos "si_ps.736.lda"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t17.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options =  -medium
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = M. Torrent
#%% keywords = PAW
#%% description = 
#%%   PAW: test of some variables reserved to experienced users
#%%   Silicon with few k-points and low cut-off
#%% topics = PAW
#%%<END TEST_INFO>