# First run: dispersion default

"$ADFBIN/band" <<eor
TITLE Dispersion energy with two parallel graphene sheets

XC
   gga scf bp86
   dispersion default
End

NumericalQuality Basic

GeometryFile $ADFHOME/examples/band/Graphene_Dispersion/Graphene_double_layer.xyz

BasisDefaults
   BasisType TZP
   Core Large
End

end input
eor

rm RUNKF

# Second run: dispersion Grimme3

"$ADFBIN/band" <<eor
TITLE Grimme3 dispersion energy with two parallel graphene sheets

XC
   gga scf blyp
   dispersion Grimme3
end

Gradients
End

NumericalQuality Basic

GeometryFile $ADFHOME/examples/band/Graphene_Dispersion/Graphene_double_layer.xyz

BasisDefaults
   BasisType TZP
   Core Large
End

end input
eor

rm RUNKF

# Third run: dispersion Grimme3 bjdamp

"$ADFBIN/band" <<eor

XC
   gga scf blyp
   dispersion Grimme3 bjdamp
end

Gradients
End

NumericalQuality Basic

GeometryFile $ADFHOME/examples/band/Graphene_Dispersion/Graphene_double_layer.xyz

BasisDefaults
   BasisType TZP
   Core Large
End

end input
eor