# He atom : reference test (very quick) for all LibXC functionals. nstep=1, nline=1.
# Not accurate, only portability check.

ndtset 3
jdtset 2 3 4

# mGGAs : different mGGA exchanges + PW92 correlation
ixc1 -12202   # Gives crazy residual
ixc2 -12203  
ixc3 -12204  
ixc4 -12205  

# mGGAs : Becke 88 exchange + mGGA correlation
ixc5 -106232  # Gives crazy residual

usekden 1

#Common data
acell 3*5
diemac 1.0d0
diemix 0.5d0
ecut 50

kptopt 0
kpt 3*0.25
natom 1
nband 1
nkpt 1
nline 1
nstep 1
#nstep 15

ntypat 1
tolwfr 1.0d-14
typat 1
znucl 2
xred 3*0

#Avoid to print densities and wavefunctions
prtden 0
prtwf  0
prteig 0

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%  t11.out, tolnlines=    0,   tolabs=  0.0,         tolrel= 0.0, fld_options = -medium
#%% psp_files = psp1=02he.bare
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   Isolated Helium atom
#%%   Test energy mGGA functionals from libXC.
#%%   This is to check the portability for different platform.
#%%   Extremely quick (nstep=1, nline=1). 
#%%<END TEST_INFO>
