# 78pt.18.khgh

 nstep 20

 acell 3*20
 wvl_hgrid 0.45
 wvl_crmult 5
 wvl_frmult 10
 wvl_bigdft_comp 1 #to follow the BigDFT workflow
 # Value not high enough, but used for quick test
 tolwfr 1e-2
 kptopt 0
 kpt   0 0 0
 istwfk 1
 natom  1
 nkpt  1
 nsym  1
 ntypat  1
 rprim   1 0 0  0 1 0  0 0 1
 symrel  1 0 0  0 1 0  0 0 1
 typat  1
 xred
  0.5 0.5 0.5
 occopt 2
 znucl  78

 ixc 11
 optforces 0
 optstress 0

 usewvl 1
 icoulomb 1
 iscf 0
 nsppol 2
 nspden 2
 nband 10 10
 occ 1 1 1 1 1 1 1 1 1 1   1 1 1 1 1 1 1 1 0 0
 nwfshist 6
 nscforder 16
 wvl_nprccg 15

# Avoid print densities, wavefunctions and eigenvalues
 prteig 0
 prtden 0
 prtwf  0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "78pt.18.khgh"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t12.out, tolnlines = 0, tolabs = 2.300e-09, tolrel = 4.177e-13, fld_options = -medium
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = D. Caliste
#%% keywords = 
#%% description = 
#%%   Pt single atom with semi-core electrons, Krack pseudopotentials (pspcod = 10),
#%%   and colinear spin polarisation (GGA functional).
#%% topics = Wavelets
#%%<END TEST_INFO>