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Dear Users

I  investigate the electronic band structure of cubic BaTiO3, but I do not 
obtain the electronic band structure of BaTiO3. "input variable" entered the 
electronic band structure of BaTiO3 are given as following. Thank you


# Cubic BaTiO3: the ectronic band structure

ndtset 2
kptopt1 1
nshiftk1 4        
shiftk1  0.5  0.5  0.5
         0.5  0.0  0.0
         0.0  0.5  0.0
         0.0  0.0  0.5
ngkpt1  4 4 4  
prtden1  1
toldfe1  1.0d-6
prteig2 1
iscf2    -2
getden2  -1
kptopt2  -1
nband2   16
ndivk2   20
kptbounds2  0.0  0.0  0.0 # Gama Point
            0.0  0.5  0.0 # X point
tolwfr2  1.0d-12
enunit2  1      
acell  7.54 7.54 7.54        
rprim  1.0  0.0  0.0  
       0.0  1.0  0.0  
       0.0  0.0  1.0

ntypat 3          
znucl 56 22 8      
natom 5          
typat 1 2 3 3 3      
xred  0.0  0.0  0.0  
      1/2  1/2  1/2
      0.0  1/2  1/2
      1/2  0.0  1/2
      1/2  1/2  0.0
ecut  20.0
nstep 30