# Bi 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 
ixc2 -12203 
ixc3 -12204 
ixc4 -12205 

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

usekden 1

#Common data
acell 3*10
diemac 2.0d0
diemix 0.5d0
ecut 10

nband 4 4
 kptopt 0
nkpt 1
nstep 1
nline 1
occopt 2
occ 1 1 1 1  1 0 0 0
tolwfr 1.0d-14
xred 3*0

ntypat 1
natom 1
typat 1
znucl 83

nspinor 1
nsppol  2
nspden  2
spinat  1 0 0

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

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t12.out, tolnlines=    0,   tolabs=  0.0,         tolrel= 0.0
#%% psp_files = PseudosHGH_pwteter/83bi.5.hgh
#%% [paral_info]
#%% max_nprocs = 2
#%% [extra_info]
#%% authors = Unknown
#%% keywords = 
#%% description = 
#%%   Isolated Bismuth atom
#%%   Test energy mGGA functionals from libXC
#%%   Spin-polarized case.
#%%   This is to check the portability for different platform.
#%%   Extremely quick (nstep=1, nline=1). 
#%%<END TEST_INFO>
