
! B12 ground state (Andrew Chizmeshya)

tasks
  0
  10

rgkmax
  6.0

scale
  9.6376071

avec
  0.55522    0.00000    0.82027
 -0.27761    0.48083    0.82027
 -0.27761   -0.48083    0.82027

sppath
  '../../../species/'

atoms
  1                                 : nspecies
  'B.in'                             : spfname
  12                                : natoms; atposl below
  0.77917   0.77917   0.36899
  0.36899   0.77917   0.77914
  0.77917   0.36899   0.77918
  0.22082   0.22082   0.63108
  0.22082   0.63100   0.22082
  0.63100   0.22082   0.22086
  0.98989   0.98989   0.34576
  0.34579   0.98989   0.98986
  0.98989   0.34579   0.98981
  0.01010   0.01010   0.65424
  0.01010   0.65420   0.01019
  0.65420   0.01010   0.01014

ngridk
  2  2  2

