
! Example due to A. Baranov on how to obtain a very smooth electron localisation
! function (ELF). Since the ELF depends on derivatives of the density it can
! sometimes be mismatched at the muffin-tin boundaries. This can be corrected
! by using high cut-offs for angular momenta and APW functions. Note also that a
! modified species file Ru.in is used.

tasks
  0
  31
  51

avec
  4.42816109463  -2.5566    0.0
  0.0             5.1132    0.0
  0.0             0.0       8.0901

atoms
  1
  'Ru.in'
  2
  0.3333333333   0.6666666667   0.25
  0.6666666667   0.3333333333   0.75

! this ensures that no radial points will be skipped when computing the density
lradstp
  1

rgkmax
  11.0

gmaxvr
  22.0

lmaxapw
  12

lmaxo
  12

ngridk
  2  2  1

vkloff
  0.5  0.5  0.5

plot1d
  2  1000
  0.0  0.0  0.0
  0.0  1.0  0.0
