File: elk.in

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elkcode 10.8.1-1
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file content (75 lines) | stat: -rw-r--r-- 623 bytes parent folder | download | duplicates (3)
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tasks
  0
  478
  500

test
 .true.

epspot
  1.e-8

nxlo
  1

swidth
  0.01

deltaph
  0.02

rgkmax
  7.0

gmaxvr
  12.0

lmaxi
  2

lmaxo
  7

lmaxapw
  8

lorbcnd
 .false.

nxoapwlo
  1

nempty
  8

ngridk
  3  3  3

wplot
  200  100  0
  0.0  4.0

tstime
  50.0

dtimes
  0.5

avec
  3.85788   3.85788   0.0
  3.85788   0.0       3.85788
  0.0       3.85788   3.85788

sppath
  '../../species/'

atoms
  2                                       : nspecies
  'Li.in'                                 : spfname
  1                                       : natoms; atposl below
  0.0  0.0  0.0
  'H.in'
  1
  0.5  0.5  0.5