File: elk.in

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elkcode 10.8.1-1
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file content (44 lines) | stat: -rw-r--r-- 387 bytes parent folder | download | duplicates (5) 
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tasks
  0
  195
  196
  500

test
  .true.

spinpol
  .true.

scale
  8.397946

avec
  1.0  0.5  0.5
  0.5  1.0  0.5
  0.5  0.5  1.0

atoms
  2
  'Mn.in'
  2
  0.0   0.0   0.0    0.0 0.0 -0.01
  0.5   0.5   0.5    0.0 0.0  0.01
  'O.in'
  2
  0.25  0.25  0.25   0.0 0.0  0.0
  0.75  0.75  0.75   0.0 0.0  0.0

sppath
 '../../species/'

ngridk
  4  4  4

hmaxvr
  4.0

reduceh
  .true.