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Dear Abinit users,
     I encounter a problem when I do a defect calculation. When I perform a 
structure optimization of a supercell with a vacancy, the SCF can't converge. 
The force and energy always oscillate and don't decrease. Because of this, 
the structure optimization can't continue. I have tried the iprcel and diemix 
parameter, but it still don't work. Anybody has some suggestions to solve 
this problem? Thanks in advance.

Regard,
Zeming

The input files is as following :
----------------   
optcell 0
ionmov  2
ntime  100
nstep  200        # Maximal number of SCF cycles
dilatmx 1.05
ecutsm  0.5
toldff = 1.0D-4
tolmxf = 1.0D-3
prtgeo 1
prtden 0
prtwf 0

iprcel 49
diemix 0.7
ecut 70
 
#Definition of the unit cell
acell 14.703085  14.703085  22.539888       # 2X2X2
angdeg 90 90 120
chkprim 0
brvltt 0
#Definition of the atom types
ntypat 2          
znucl 57 8                                                     
natom 39
typat 8*1 7*2 8*1 16*2
xangst
 1.123   1.945   1.455  
 1.123   1.945   7.418  
 1.123   5.835   1.455  
 1.123   5.835   7.418  
 4.492  -0.000   1.455  
 4.492  -0.000   7.418  
 4.492   3.890   1.455  
 4.492   3.890   7.418  
 1.123   1.945   3.856  
 1.123   1.945   9.820  
 1.123   5.835   3.856  
 1.123   5.835   9.820   
 4.492  -0.000   9.820  
 4.492   3.890   3.856  
 4.492   3.890   9.820  
 2.246   0.000   4.509  
 2.246   0.000  10.473  
 2.246   3.890   4.509  
 2.246   3.890  10.473  
 5.615  -1.945   4.509  
 5.615  -1.945  10.473  
 5.615   1.945   4.509  
 5.615   1.945  10.473  
 2.246   0.000   2.107  
 2.246   0.000   8.071  
 2.246   3.890   2.107  
 2.246   3.890   8.071  
 5.615  -1.945   2.107  
 5.615  -1.945   8.071  
 5.615   1.945   2.107  
 5.615   1.945   8.071  
 0.000   0.000   0.000  
 0.000   0.000   5.964  
 0.000   3.890   0.000  
 0.000   3.890   5.964  
 3.369  -1.945   0.000  
 3.369  -1.945   5.964  
 3.369   1.945   0.000  
 3.369   1.945   5.964  


#Definition of the k-point grid
kptopt 0 
kpt 0 0 0