#==============================
# Ti fcc
#==============================

#Datasets - Ecut convergence
  ndtset 10
  ecut: 4. ecut+ 4.
  getwfk -1 getocc -1
  prtwf  1 prtden 0

#PAW specific data
  pawecutdg 50.0
  pawxcdev 1

# SC cycle control
  nstep 50
  iscf 13
  toldfe 1.0d-8

#Atomic cell
  acell 3*7.8
  xred 0 0 0
  rprim 0.0 1/2 1/2
        1/2 0.0 1/2
        1/2 1/2 0.0
  natom 1 ntypat 1 typat 1
  znucl 22

#Metallic properties
  nband 12
  occopt 7 tsmear 5.0d-3

#K-points
  kptopt 1
  kptrlatt 2 0 0 0 2 0 0 0 2
  nshiftk 4
  shiftk
  1/2 1/2 1/2
  1/2 0.0 0.0
  0.0 1/2 0.0
  0.0 0.0 1/2
