! B12 ground state

tasks
  0
 10

xctype
   3

scale
    9.6376071

avec
     0.5552208286774546    0.0000000000000000    0.8202701037340987
    -0.2776104143387272    0.4808353423746850    0.8202701037340987
    -0.2776104143387272   -0.4808353423746850    0.8202701037340987

sppath
  './'

atoms
   1                                 : nspecies
'B.in'                              : spfname
   12                                : natoms
  0.7791796713741874  0.7791796713741448  0.3689976501302752   0. 0. 0.
  0.3689976501302326  0.7791796713741874  0.7791796713741874   0. 0. 0.
  0.7791796713741874  0.3689976501302752  0.7791796713741448   0. 0. 0.
  0.2208203286258126  0.2208203286258552  0.6310023498697248   0. 0. 0.
  0.2208203286258126  0.6310023498697248  0.2208203286258552   0. 0. 0.
  0.6310023498697674  0.2208203286258126  0.2208203286258126   0. 0. 0.
  0.9898987839828806  0.9898987839829161  0.3457964522602026   0. 0. 0.
  0.3457964522602381  0.9898987839828806  0.9898987839828806   0. 0. 0.
  0.9898987839828806  0.3457964522602026  0.9898987839829161   0. 0. 0.
  0.0101012160171194  0.0101012160170839  0.6542035477397974   0. 0. 0.
  0.0101012160171194  0.6542035477397974  0.0101012160170839   0. 0. 0.
  0.6542035477397619  0.0101012160171194  0.0101012160171194   0. 0. 0.


ngridk
  2 2 2

rgkmax
    6.0