Table 1. Parameterized magnetic factors for transition metal elements from scandium (Z = 21) to gold (Z = 79), following equations (11) and (12) .

Elements with filled d orbitals or for which GPAW has no atomic PAW setups are left out. The parameters a_{i} are scaled so that the resulting A and B values correspond to a spin magnetic moment of one Bohr magneton (μ_B). The RMS error is included for each calculation.

	Pair 1		Pair 2		Pair 3		Pair 4		Pair 5		RMS error
Element	a_{0} (T Å3)	b_{0} (Å3)	a_{1} (T Å3.5)	b_{1} (Å3.5)	a_{2} (T Å4)	b_{2} (Å4)	a_{3} (T Å4.5)	b_{3} (Å4.5)	a_{4} (T Å5)	b_{4} (Å5)	A (T Å)	B (T)
Sc	9.627E-01	1.298E+00	−1.195E-02	1.887E-03	3.207E-03	7.223E-04	1.746E-01	2.624E-01	2.062E-02	3.740E-02	7.075E-03	2.531E-03
Ti	9.865E-01	2.000E+00	−2.565E-03	1.442E-03	3.906E-01	2.528E-01	−5.238E-01	6.228E+00	−1.731E-01	3.869E-01	1.416E-02	4.423E-02
V	6.594E+00	4.638E+02	2.007E+00	4.761E-01	−4.102E+01	3.962E+03	−1.165E+00	2.720E+00	−7.793E-01	4.911E-01	1.807E-02	1.154E-02
Cr	1.201E+00	4.655E+00	1.304E+00	2.783E-01	−5.867E+00	1.045E+00	3.577E+00	5.462E+00	3.880E+00	1.312E+00	1.982E-02	1.625E-02
Mn	8.182E-01	4.156E+00	2.390E+00	2.663E-01	−6.858E+00	3.055E+00	6.222E+00	4.960E+00	−7.540E-01	2.450E-01	1.580E-02	2.844E-02
Fe	6.967E+00	4.357E+02	1.799E+00	1.894E-01	−4.485E+01	3.955E+03	−6.665E-01	1.294E+00	−5.191E-01	1.693E-01	1.807E-02	2.034E-02
Co	5.324E+00	2.716E+02	1.894E+00	1.638E-01	−3.158E+01	2.386E+03	−8.253E-01	9.567E-01	−5.211E-01	1.285E-01	1.781E-02	9.368E-02
Ni	2.123E+00	2.109E-01	5.423E+00	6.535E+00	−4.232E+01	9.541E-01	7.010E+01	1.139E+00	−3.031E+01	1.325E+00	1.126E-02	1.231E-02
Cu	1.684E+00	1.976E-02	−1.093E+00	5.604E-02	−7.235E-02	2.058E-03	−1.153E-01	4.499E-03	−4.434E-01	5.774E-01	5.049E-03	4.416E-03
Y	1.808E+00	1.824E-03	−5.816E-01	9.904E-02	−1.824E+00	3.088E-04	1.045E+00	1.321E-04	−1.714E-01	5.709E-05	9.262E-03	3.086E-02
Zr	2.954E-03	3.582E-04	1.251E+00	2.098E+01	9.615E-01	5.496E+00	−1.008E-01	2.481E-01	1.946E-01	5.740E-01	1.096E-02	3.841E-02
Nb	9.850E-01	6.480E-02	3.354E-01	3.146E+00	−3.161E-01	2.979E-02	−1.071E+00	2.602E-01	6.619E-01	2.939E-01	1.509E-02	1.356E-02
Mo	1.150E+00	7.032E-01	2.098E-01	1.704E-02	−1.331E+00	3.853E-02	7.077E-01	3.072E-02	1.815E-01	1.724E-01	1.647E-02	2.066E-02
Ru	1.141E+00	7.594E-01	2.508E-01	1.774E-02	−1.329E+00	4.251E-02	5.850E-01	1.624E-01	3.849E-01	2.449E-02	1.386E-02	4.651E-02
Rh	2.283E-02	1.625E-03	2.769E+00	1.724E+00	−2.187E+00	2.573E+00	−1.444E-01	4.847E-02	1.402E-01	6.810E-02	1.379E-02	7.110E-02
Pd	7.623E-03	4.048E-04	−3.558E+00	9.647E+01	9.942E+00	1.691E+02	2.203E+00	1.102E+01	2.391E-01	4.986E-01	6.902E-03	3.193E-02
Ag	4.349E+00	3.961E+01	−8.312E+00	1.537E+02	4.611E-01	2.675E-01	−6.189E-01	3.481E-01	2.320E+00	2.111E+01	8.045E-03	4.964E-03
Hf	8.602E-01	1.201E+00	2.697E-01	6.587E-02	−1.946E-01	1.345E+00	−1.715E-01	5.218E-02	−1.149E-01	3.384E-01	1.061E-02	3.482E-02
Ta	9.782E-01	1.502E+00	2.160E-01	5.528E-02	−6.757E-01	1.135E-01	3.900E-01	1.210E+00	2.566E-01	1.225E-01	1.199E-02	3.337E-02
W	8.705E-01	1.171E+00	9.543E-01	6.933E-02	−1.546E+00	7.871E-02	2.710E-01	2.382E-01	3.197E-01	5.784E-02	2.105E-02	1.434E-02
Re	2.070E+00	6.697E+02	1.518E+00	9.766E-02	4.992E-01	1.397E+01	−5.630E-01	4.738E-02	−4.218E-01	2.385E-01	1.641E-02	2.250E-02
Os	1.042E+00	1.469E+00	3.499E-01	5.149E-02	−1.514E+00	1.153E-01	1.086E+00	9.417E-01	7.026E-01	1.142E-01	1.373E-02	3.353E-02
Ir	2.514E-02	2.202E-02	1.139E+01	1.011E+02	−2.154E+01	2.992E+02	2.050E+00	6.562E+00	−2.924E-02	4.927E-02	1.846E-02	1.204E-02
Pt	2.001E+00	1.925E-01	−3.305E+00	2.058E-01	1.185E+00	8.158E+00	3.716E+00	2.857E-01	−2.088E+00	3.153E-01	6.134E-03	4.514E-02
Au	6.100E-01	1.747E+00	1.069E+00	2.511E+00	6.258E-01	2.764E-01	−3.433E+00	6.340E-01	2.102E+00	7.760E-01	7.167E-03	5.947E-03