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[homegchiche@yahoo.fr]

Dear Abinit Users.

Thank to Steven Homolya, Allan, Douglas C Dr and all abint users for 
responces for my questions.
Now I have create my input files for nickel with 7 atom and one vacancy. but 
I don't know if it is complete or no. This is my input files calculation for 
unralaxed system :

# 8-atom cell : FCC_Nickel with one vacancy. Unrelaxed. 
chkprim 0
strprecon 0.1
tsmear 0.01
ixc 1
acell 3*6.65           
rprim  1.0  0.0  0.0   
       0.0  1.0  0.0 
       0.0  0.0  2.0
nsppol 2          
occopt 3          
nband  48  
spinat 0.0 0.0 0.5  
       0.0 0.0 0.5 
       0.0 0.0 0.5 
       0.0 0.0 0.5 
       0.0 0.0 0.5 
       0.0 0.0 0.5 
       0.0 0.0 0.5 
       0.0 0.0 0.5 
#optcell 1
#ionmov  3
ntime  1000
#dilatmx 1.05
#ecutsm  0.5
ntype 1
zatnum 28         
natom 8           
type 8*1          
xred              
   0.0  0.0  0.0     
   0.5  0.5  0.0
   0.5  0.0  0.25
   0.0  0.5 0.25
   0.0 0.0 0.5
   0.5 0.5 0.5
   0.5 0.0 0.75
   0.0  0.5 0.75
vacnum 1 
vaclst 6 
ecut  40.0       
kptopt 1          
ngkpt 4 4 4       
nshiftk 1         
shiftk 0.5 0.5 0.5
       0.5 0.0 0.0
       0.0 0.5 0.0
       0.0 0.0 0.5
nstep 50          
toldfe 1.0d-6  
""""""""""""
   
I'm grateful for your helps and your time
Sincely yours
Megchiche

I'm grateful to this mailing list for your helps.