# Aluminum molecule, geometry optimization
# Compare tolrff and toldff

 ndtset 2
 toldff1  5.d-6
 tolrff2  0.02

 ionmov 3
 tolmxf 5.d-5

#Common data
 acell 11 11 16
 diemac 1.0d0
 diemix 0.333333333333d0
 ecut 2.5
 ixc   1
  kptopt 0
 natom  2
 nband 5
 nbdbuf 0
 nstep 40
 ntime 15
 ntypat  1
 occopt 4
 tsmear 0.08
 typat  1 1
 xred   0.0 0.0 -0.18   0.0 0.0 0.18
 znucl 13.0

 pp_dirpath "$ABI_PSPDIR"
 pseudos "13al.981214.fhi"

#%%<BEGIN TEST_INFO>
#%% [setup]
#%% executable = abinit
#%% [files]
#%% files_to_test = 
#%%   t41.out, tolnlines = 0, tolabs = 0.000e+00, tolrel = 0.000e+00, fld_options = -easy
#%% [paral_info]
#%% max_nprocs = 1
#%% [extra_info]
#%% authors = M. Verstraete
#%% keywords = 
#%% description = 
#%%   Al2 molecule in a big box. Treat 8 bands, occupied using occopt=4.
#%%   Compare tolrff and toldff stopping criteria
#%%<END TEST_INFO>