File: elk.in

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! Twice-integrated electron momentum density (EMD) plot for ferromagnetic Ni.

tasks
  0
  170
  171
  500

test
 .true.

plot1d
  2  10
  0.0  0.0  0.0
  1.0  1.0  0.0

hkmax
  4.d0

ngridk
  8  8  8

spinpol
  .true.

bfieldc
  0.0  0.0 -0.01

avec
  1.0  1.0  0.0
  1.0  0.0  1.0
  0.0  1.0  1.0

scale
  3.322

sppath
  '../../species/'

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