#! /bin/sh


$ADFBIN/band << eor

DefaultsConvention pre2014

Title Li bulk

KSpace 3

accuracy 5

DIIS
   dimix 0.3
   ncycledamp 0
end

scf
   mixing 0.6
end

xc
   metaGGA postscf
end

define
   ha=6.60/2
end

Lattice
   -ha  ha  ha
    ha -ha  ha
    ha  ha -ha
end

Atoms
   Li  0.0  0.0  0.0
end

BasisDefaults
   BasisType DZ
   Core Large
end

end input
eor