#Definition of the different datasets 
#***********************************

ndtset 6 jdtset 10 11 1 2 3 4 

nstep10 100
kptopt10 1
toldfe10 1.0d-12
ngkpt10   4 4 4
optforces10 0
optstress10 0
prtden1 1
diemac1 5.

nstep11 100
getden11 10
prtwf11 1
iscf11 -2
optforces11 0
optstress11 0

rprim2  1  -0.00005  0
        -0.00005  1  0
        0  0  1
getwfk2 11

rprim3  1  0.00005  0
        0.00005  1  0
        0  0  1
getwfk3 11

getwfk1 11
getwfk4 11

#  --------------------------------------------------------------------
#  Variables globales
#  --------------------------------------------------------------------
   xred   0.0 0.0 0.0
          0.6 0.5 0.5
    kpt 0.23 0.2 0.2

   acell 3*6 
   rprim  1  0  0
          0  1  0
          0  0  1  
# Types des atomes
   ntypat   2         # 2 types d'atomes
    znucl   20 8      # Ca-O
#Definition of the atoms
    natom   2  
    typat   1 2
#Nombre de bandes
   nband   9
# Energie de coupure
  ecut   10           # En Hartree
  pawecutdg 10         # energie de coupure PAW
#Definition of the SCF procedure
   nstep 0
   tolwfr 1.0d-22
   iscf 7
   prtwf 0
   istwfk *1
   optforces 2
   useylm 1
   chksymbreak 0
   shiftk   0 0 0
   nshiftk 1
   kptopt 0
