# Chromium atom, in a box, treated like a metal, with LDA, non-spin-polarized
# The FHI pseudopotential includes a core charge,
# inducing non-linear XC core correction
# Many parameters are too small for converged calculation.

 acell 3*9.001
 diemac 2.0d0
 ecut 30
 ixc 1
 kptopt 0

 kpt   3*0.0
 natom  1
 nband 6
 nkpt 1
#nstep 7
 nstep 20

 ntypat  1
 occopt 7
#toldfe 1.d-6
 tolvrs 1.d-5
 typat  1
 wtk 1.0
 xred 0.0 0.0 0.0
 znucl  24.0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "24cr.000107.fhi"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%  t56.out, tolnlines = 9, tolabs = 4.0e-8, tolrel = 1.0e-2
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% keywords = 
#%% authors = Unknown
#%% description = 
#%%   Test a FHI pseudopotential for Chromium, with non-linear XC 
#%%   core correction. The ecut is too low, the box is too small.
#%%   Use metallic occupation numbers.
#%%   The convergence is not enough to make finite-difference of energy.
#%%<END TEST_INFO>