File: elk.in

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elkcode 10.4.9-1
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! Example demonstrating the automatic determination of the smearing width. See
! 'autoswidth' in the manual for details.

! Example by T. Bjorkman and O. Granas.

tasks
  0

autoswidth
  .true.

avec
  1.0  1.0 -1.0
  1.0 -1.0  1.0
 -1.0  1.0  1.0

scale
  3.118

sppath
  '../../../species/'

atoms
  1                                   : nspecies
  'Nb.in'                             : spfname
  1                                   : natoms
  0.0  0.0  0.0    0.0  0.0  0.0      : atposl, bfcmt

ngridk
  4  4  4