# 14Si.4.hgh

# ndtset 2
 nstep 20

 acell 3*20
 wvl_hgrid 0.45
 wvl_crmult 5
 wvl_frmult 10
 tolwfr 1e-4
 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 0
 nband 4
 occ 2 2/3 2/3 2/3
 znucl  14

 ixc 1
 optforces 0
 optstress 0

 usewvl 1
 icoulomb 1
 iscf 0
 nwfshist 6
 wvl_bigdft_comp 1 #to follow the BigDFT workflow

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

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosHGH_pwteter/14si.4.hgh"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t11.abo, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = D. Caliste
#%% keywords = 
#%% description = 
#%%   Si single atom with fractional occupation.
#%% topics = Wavelets
#%%<END TEST_INFO>