# Example: Spin-Orbit unrestricted non-collinear: Tl¶

```
#! /bin/sh
# Application of the Spin-Orbit relativistic option (using double-group
# symmetry, in this case NOSYM) to Tl using the collinear and non-collinear
# approximation for unrestricted Spin-Orbit calculations
# Note: For the collinear and the non-collinear approximation one should use
# symmetry NOSYM and use the key UNRESTRICTED.
# == Tl scalar restricted ==
AMS_JOBNAME=Scalar $AMSBIN/ams <<eor
System
atoms
Tl 0 0 0
end
end
Task SinglePoint
Engine ADF
title Tl scalar restricted
beckegrid
quality good
end
basis
PerAtomType Symbol=Tl File=ZORA/TZ2P/Tl.4f
CreateOutput Yes
end
relativity
level scalar
formalism ZORA
end
xc
gga Becke Perdew
end
EndEngine
eor
# == Tl spinorbit restricted ==
AMS_JOBNAME=SpinOrbit_Restricted $AMSBIN/ams <<eor
System
atoms
Tl 0 0 0
end
end
Task SinglePoint
Engine ADF
title Tl spinorbit restricted
beckegrid
quality good
end
eprint
sfo eig
end
fragments
Tl Scalar.results/adf.rkf
end
relativity
level spin-orbit
formalism ZORA
end
xc
gga becke perdew
end
EndEngine
eor
# == Tl spinorbit collinear z-axis ==
AMS_JOBNAME=SpinOrbit_Collinear $AMSBIN/ams <<eor
System
atoms
Tl 0 0 0
end
end
Task SinglePoint
Engine ADF
title Tl spinorbit collinear z-axis
beckegrid
quality good
end
eprint
sfo eig
end
fragments
Tl Scalar.results/adf.rkf
end
relativity
level spin-orbit
formalism ZORA
spinorbitmagnetization collinear
end
symmetry nosym
unrestricted
xc
gga becke perdew
end
EndEngine
eor
# == Tl spinorbit noncollinear ==
AMS_JOBNAME=SpinOrbit_NonCollinear $AMSBIN/ams <<eor
System
atoms
Tl 0 0 0
end
end
Task SinglePoint
Engine ADF
title Tl spinorbit noncollinear
beckegrid
quality good
end
eprint
sfo eig
end
fragments
Tl Scalar.results/adf.rkf
end
relativity
level spin-orbit
formalism ZORA
spinorbitmagnetization noncollinear
end
symmetry nosym
unrestricted
xc
gga becke perdew
end
EndEngine
eor
# == Tl spinorbit noncollinear ==
AMS_JOBNAME=SpinOrbit_SOUEXACT $AMSBIN/ams <<eor
System
atoms
Tl 0 0 0
end
end
Task SinglePoint
Engine ADF
title Tl spinorbit noncollinear
beckegrid
quality good
end
eprint
sfo eig
end
fragments
Tl Scalar.results/adf.rkf
end
relativity
level spin-orbit
formalism ZORA
spinorbitmagnetization noncollinear
souexact
end
symmetry nosym
unrestricted
xc
gga becke perdew
end
EndEngine
eor
```