ndtset 1 
getwfk -1
#occopt 4  
#tsmear 0.05
 kptopt 1
 nshiftk 4
 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
 ngkpt   4 4 4
acell 3*7.07
angdeg 90 90 90
 xred
 0.0000000000    0.0000000000    0.0000000000
 0.5000000000    0.5000000000    0.5000000000
 0.0000000000    0.5000000000    0.5000000000
 0.5000000000    0.0000000000    0.5000000000
 0.5000000000    0.5000000000    0.0000000000
 optcell   1 
 ionmov   3 
 ntime     30
 dilatmx  1.4
 ecutsm    0.5
 ntypat   3
 znucl    56 22 8
 natom 5
 typat 1 2 3 3 3
 ixc 1 
 ecut 40.0
 nstep  60
 toldfe  1.0d-5
 diemac   12.0