#H in a box.
#Tests: 
# wvl_bigdft_comp = 0
#
ndtset 2
#for the moment only one-dataset calculations work

iscf1 17  # Density mixing
iscf2 7   # Potential mixing (not yet working?) 

#Variables for Wavelets
usewvl 1

#Wavelets basis set:
wvl_hgrid 0.4
wvl_frmult 2.0
wvl_crmult 3.0        #Rise it to converge
nsym  1
nscforder 14
wvl_nprccg 5

#
wvl_bigdft_comp 0      #Follow the ABINIT path

#Gamma point
nkpt 1
kpt 0.0 0.0 0.0
istwfk 1               #This is mandatory for WVLs

# Self-consistent run to get the density

#The next variables are too low (only for testing purposes):
tolvrs     1.00d-10    #
nnsclo 4               #NSCF cycles at each step (~ 15 is usually required)
nstep 20               #

amu 1.00
nband 1
ixc 1
icoulomb 1 #isolated system

# H in a box
acell   3*17.400000 
rprim      1.00   0.00   0.00
           0.00   1.00   0.00
           0.00   0.00   1.00
natom      1
xred      5.0000000000E-01  5.0000000000E-01  5.0000000000E-01
ntypat      1
typat      1
znucl     1.00

#Minimal test: do not print WFK files etc..
#optforces  0 
optstress 0
kptopt 0
prtden 0
prtwf 0
prteig 0

## After modifying the following section, one might need to regenerate the pickle database with runtests.py -r
#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t31.out, tolnlines = 22, tolabs = 6.000e-2, tolrel = 0.15
#%% psp_files = 1h.atompaw.wvl
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = T. Rangel
#%% keywords =  PAW
#%% description = H in a box (PAW). PAW projectors are fitted to Gaussians.
#%% topics = Wavelets
#%%<END TEST_INFO>
