File: elk.in

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elkcode 10.8.1-1
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! Spin-spiral state for Gamma-Fe.

tasks
  0
  500

test
 .true.

maxscl
  5

spinsprl
 .true.

vqlss
  0.1 0.1 0.0

rgkmax
  6.5

bfieldc
  0.05 0.0 0.0

avec
  1.0  1.0  0.0
  1.0  0.0  1.0
  0.0  1.0  1.0

scale
  3.375

sppath
  '../../species/'

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

ngridk
  2  2  2

vkloff
  0.25 0.5 0.625