# Test a dihydrogen molecule with BigDFT
# Compute forces in addition to ground state.

 nstep 5

 acell 3*10
 ecut 10
 kptopt 0
 kpt   0 0 0
 natom  5
 nband 4
 nkpt  1
 istwfk 1
 nsym  1
 ntypat  2
 rprim   1 0 0  0 1 0  0 0 1
 symrel  1 0 0  0 1 0  0 0 1
 toldfe 1.0d-6
 typat  1 2 2 2 2
 xcart  5.00 5.00 5.00
        6.62 6.62 6.62
        3.38 3.38 6.62
        3.38 6.62 3.38
        6.62 3.38 3.38
 znucl 14 1

 usewvl 1
 iscf 0
 optstress 0
 optforces 0
 wvl_hgrid 0.5
 icoulomb 1
 nscforder 14
 wvl_nprccg 5
 wvl_bigdft_comp 1 #to follow the BigDFT workflow

 tl_radius 5.
 tl_nprccg 25

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

 pp_dirpath "$ABI_PSPDIR"
 pseudos "PseudosGTH_pwteter/14si.pspgth, PseudosGTH_pwteter/01h.pspgth"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t09.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = D. Caliste
#%% keywords = 
#%% description = 
#%%   SiH4 molecule with truncated convergence to test the computation of the tail
#%%   correction (see the tl_radius) parameter in the input file.
#%% topics = Wavelets
#%%<END TEST_INFO>