File: elk.in

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elkcode 10.8.1-1
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file content (41 lines) | stat: -rw-r--r-- 505 bytes parent folder | download | duplicates (2)
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tasks
  0
  500

test
 .true.

rgkmax
  6.0

lmaxi
  3

ngridk
  2 2 1

avec
  4.644946479927 -8.045281629256  0.0
  4.644946479927  8.045281629256  0.0
  0.0             0.0             10.21472485866

sppath
  '../../species/'

atoms
  2
 'Si.in'
  3
  0.4650 0.0000 0.0000
  0.0000 0.4650 0.666666667
  0.5350 0.5350 0.333333333
  'O.in'
  6
  0.415  0.272  0.1200
  0.728  0.143  0.786666667
  0.857  0.585  0.453333333
  0.272  0.415  0.546666667
  0.143  0.728  0.8800
  0.585  0.857  0.213333333