Atomic data

This appendix collects atomic data for elements and parameters for built-in basis sets in QuantumATK.

Element data

Table 39 Atomic data.

Z	Symbol	Name	Electron configuration	Valence configuration	Valence charge	U / eV
1	H	Hydrogen	1s1	1s1	1	12.848
2	He	Helium	1s2	1s2	2	9.0
3	Li	Lithium	[He]2s1	2s1	1	3.469
4	Be	Beryllium	[He]2s2	2s2	2	5.935
5	B	Boron	[He]2s2 2p1	2s2 2p1	3	8.0
6	C	Carbon	[He]2s2 2p2	2s2 2p2	4	10.207
7	N	Nitrogen	[He]2s2 2p3	2s2 2p3	5	11.052
8	O	Oxygen	[He]2s2 2p4	2s2 2p4	6	13.625
9	F	Fluorine	[He]2s2 2p5	2s2 2p5	7	15.054
10	Ne	Neon	[He]2s2 2p6	2s2 2p6	8	9.0
11	Na	Sodium	[Ne]3s1	3s1	1	2.982
12	Mg	Magnesium	[Ne]3s2	3s2	2	4.623
13	Al	Aluminium	[Ne]3s2 3p1	3s2 3p1	3	5.682
14	Si	Silicon	[Ne]3s2 3p2	3s2 3p2	4	6.964
15	P	Phosphorus	[Ne]3s2 3p3	3s2 3p3	5	9.878
16	S	Sulfur	[Ne]3s2 3p4	3s2 3p4	6	9.205
17	Cl	Chlorine	[Ne]3s2 3p5	3s2 3p5	7	10.292
18	Ar	Argon	[Ne]3s2 3p6	3s2 3p6	8	9.0
19	K	Potassium	[Ar]3d0 4s1	4s1	1	3.702
20	Ca	Calcium	[Ar]3d0 4s2	4s2	2	3.977
21	Sc	Scandium	[Ar]3d1 4s2	4s2 3d1	3	9.0
22	Ti	Titanium	[Ar]3d2 4s2	4s2 3d2	4	9.0
23	V	Vanadium	[Ar]3d3 4s2	4s2 3d3	5	9.0
24	Cr	Chromium	[Ar]3d4 4s2	4s2 3d4	6	9.0
25	Mn	Manganese	[Ar]3d5 4s2	4s2 3d5	7	9.0
26	Fe	Iron	[Ar]3d6 4s2	4s2 3d6	8	9.0
27	Co	Cobalt	[Ar]3d7 4s2	4s2 3d7	9	9.0
28	Ni	Nickel	[Ar]3d8 4s2	4s2 3d8	10	9.0
29	Cu	Copper	[Ar]3d10 4s1	4s1 3d10	11	9.0
30	Zn	Zinc	[Ar]3d10 4s2	4s2 3d10	12	9.0
31	Ga	Gallium	[Ar]3d10 4s2 4p1	4s2 4p1	3	5.936
32	Ge	Germanium	[Ar]3d10 4s2 4p2	4s2 4p2	4	6.608
33	As	Arsenic	[Ar]3d10 4s2 4p3	4s2 4p3	5	8.399
34	Se	Selenium	[Ar]3d10 4s2 4p4	4s2 4p4	6	9.121
35	Br	Bromine	[Ar]3d10 4s2 4p5	4s2 4p5	7	8.823
36	Kr	Krypton	[Ar]3d10 4s2 4p6	4s2 4p6	8	9.0
37	Rb	Rubidium	[Kr]4d0 5s1	5s1	1	2.495
38	Sr	Strontium	[Kr]4d0 5s2	5s2	2	3.749
39	Y	Yttrium	[Kr]4d1 5s2	5s2 4d1	3	9.0
40	Zr	Zirconium	[Kr]4d2 5s2	5s2 4d2	4	9.0
41	Nb	Niobium	[Kr]4d4 5s1	5s2 4d3	5	9.0
42	Mo	Molybdenum	[Kr]4d5 5s1	5s1 4d5	6	9.0
43	Tc	Technetium	[Kr]4d5 5s2	5s2 4d5	7	9.0
44	Ru	Ruthenium	[Kr]4d7 5s1	5s2 4d6	8	9.0
45	Rh	Rhodium	[Kr]4d8 5s1	5s1 4d8	9	9.0
46	Pd	Palladium	[Kr]4d10 5s0	4d10	10	9.0
47	Ag	Silver	[Kr]4d10 5s1	5s1 4d10	11	9.0
48	Cd	Cadmium	[Kr]4d10 5s2	5s2 4d10	12	9.0
49	In	Indium	[Kr]4d10 5s2 5p1	5s2 5p1	3	5.53
50	Sn	Tin	[Kr]4d10 5s2 5p2	5s2 5p2	4	4.297
51	Sb	Antimony	[Kr]4d10 5s2 5p3	5s2 5p3	5	7.657
52	Te	Tellurium	[Kr]4d10 5s2 5p4	5s2 5p4	6	8.985
53	I	Iodine	[Kr]4d10 5s2 5p5	5s2 5p5	7	9.448
54	Xe	Xenon	[Kr]4d10 5s2 5p6	5s2 5p6	8	9.0
55	Cs	Caesium	[Xe]5d0 6s1	6s1 5p6	7	9.0
56	Ba	Barium	[Xe]5d0 6s2	6s2 5p6	8	9.0
57	La	Lanthanum	[Xe]5d1 6s2	6s2 5d1	3	9.0
58	Ce	Cerium	[Xe]4f2 5d0 6s2	6s2 4f2	4	9.0
59	Pr	Praseodymium	[Xe]4f3 5d0 6s2	6s2 4f3	5	9.0
60	Nd	Neodymium	[Xe]4f4 5d0 6s2	6s2 4f4	6	9.0
61	Pm	Promethium	[Xe]4f5 5d0 6s2	6s2 4f5	7	9.0
62	Sm	Samarium	[Xe]4f6 5d0 6s2	6s2 4f6	8	9.0
63	Eu	Europium	[Xe]4f7 5d0 6s2	6s2 4f7	9	9.0
64	Gd	Gadolinium	[Xe]4f7 5d1 6s2	6s2 5d1 4f7	10	9.0
65	Tb	Terbium	[Xe]4f9 5d0 6s2	6s2 4f9	11	9.0
66	Dy	Dysprosium	[Xe]4f10 5d0 6s2	6s2 4f10	12	9.0
67	Ho	Holmium	[Xe]4f11 5d0 6s2	6s2 4f11	13	9.0
68	Er	Erbium	[Xe]4f12 5d0 6s2	6s2 4f12	14	9.0
69	Tm	Thulium	[Xe]4f13 5d0 6s2	6s2 4f13	15	9.0
70	Yb	Ytterbium	[Xe]4f14 5d0 6s2	6s2 4f14	16	9.0
71	Lu	Lutetium	[Xe]4f14 5d1 6s2	6s2 5d1 4f14	17	9.0
72	Hf	Hafnium	[Xe]4f14 5d2 6s2	6s2 5d2	4	9.0
73	Ta	Tantalum	[Xe]4f14 5d3 6s2	6s2 5d3	5	9.0
74	W	Tungsten	[Xe]4f14 5d4 6s2	6s1 5d5	6	9.0
75	Re	Rhenium	[Xe]4f14 5d5 6s2	6s2 5d5	7	9.0
76	Os	Osmium	[Xe]4f14 5d6 6s2	6s2 5d6	8	9.0
77	Ir	Iridium	[Xe]4f14 5d7 6s2	6s2 5d7	9	9.0
78	Pt	Platinum	[Xe]4f14 5d10 6s0	6s1 5d9	10	8.604
79	Au	Gold	[Xe]4f14 5d10 6s1	6s1 5d10	11	8.604
80	Hg	Mercury	[Xe]4f14 5d10 6s2	6s2 5d10	12	9.0
81	Tl	Thallium	[Xe]4f14 5d10 6s2 6p1	6s2 6p1	3	9.0
82	Pb	Lead	[Xe]4f14 5d10 6s2 6p2	6s2 6p2	4	9.0
83	Bi	Bismuth	[Xe]4f14 5d10 6s2 6p3	6s2 6p3	5	9.0
84	Po	Polonium	[Xe]4f14 5d10 6s2 6p4	6s2 6p4	6	9.0
85	At	Astatine	[Xe]4f14 5d10 6s2 6p5	6s2 6p5	7	9.0
86	Rn	Radon	[Xe]4f14 5d10 6s2 6p6	6s2 6p6	8	9.0
87	Fr	Francium	[Rn]7s1	7s1 6p6	7	9.0
88	Ra	Radium	[Rn]7s2	7s2 6p6	8	9.0
89	Ac	Actinium	[Rn]7s2 6d1	7s2 6d1	3	9.0
90	Th	Thorium	[Rn]7s2 6d2	7s2 6d2	4	9.0
91	Pa	Protactinium	[Rn]7s2 5f2 6d1	7s2 6d1 5f2	5	9.0
92	U	Uranium	[Rn]7s2 5f3 6d1	7s2 5f3 6d1	6	9.0
93	Np	Neptunium	[Rn]7s2 5f4 6d1	7s2 5f4 6d1	7	9.0
94	Pu	Plutonium	[Rn]7s2 5f6	7s2 5f6	8	9.0
95	Am	Americium	[Rn]7s2 5f7	7s2 5f7	9	9.0
96	Cm	Curium	[Rn]7s2 5f7 6d1	7s2 5f7 6d1	10	9.0
97	Bk	Berkelium	[Rn]7s2 5f9	7s2 5f9	11	9.0
98	Cf	Californium	[Rn]7s2 5f10	7s2 5f10	12	9.0
99	Es	Einsteinium	[Rn]7s2 5f11	7s2 5f11	13	9.0
100	Fm	Fermium	[Rn]7s2 5f12	7s2 5f12	14	9.0
101	Md	Mendelevium	[Rn]7s2 5f13	7s2 5f13	15	9.0
102	No	Nobelium	[Rn]7s2 5f14	7s2 5f14	16	9.0

Built-in semiempirical parameter sets in QuantumATK

Slater–Koster basis sets

Table 40 Self-consistent Slater–Koster DFTB style parameters for electronic structure and total energy calculations. The basis set directory is used together with the functions DFTBDirectory and PairPotential. Some parameter sets are extensions to a base set, given in the Requires column; the base set is loaded automatically.

Basis set directory	Requires	Elements	Reference
“cp2k/scc/”		H, C, N, O, P, S, Zn	cp2k.org
“cp2k/si-d/”		H, O, Si	cp2k.org
“dftb/hfo-1-1/”		Hf, O	Elstner et al. [1]; Franke et al. [2]
“dftb/matsci-0-3/”		Al, O, H | Al, Si, O, H | Cu, Si, Al, Na, O, H | Ti, P, O, N, C, H | O, N, C, B, H | Al, O, C, H | Si, P, N, O, C, H	dftb.org
“dftb/mio-1-1/”		H, C, N, O, S, P	dftb.org
“dftb/pbc-0-3/”		Si, F, O, N, C, H | Fe - Fe	dftb.org
“dftb/auorg-1-1/”	mio	Au - (H, C, N, O, S, Au)	dftb.org
“dftb/borg-0-1/”	mio	B - (H, B)	dftb.org
“dftb/chalc-0-1/”	mio	As - (S, H, As)	dftb.org
“dftb/halorg-0-1/”	mio	F, Cl, Br, I, C, N, O, H, P, S	dftb.org
“dftb/hyb-0-2/”	mio	Ag - (O, C, H, Ag) | Ga - (As, S, O, C, H, Ga) | Si - (Ag, Ga, As, S, Si) | As - (S, H, As)	dftb.org
“dftb/magsil-1-1/”	matsci	Mg - (Si, O, H, Mg)	dftb.org
“dftb/miomod-hh-0-1/”	mio	H - H	dftb.org
“dftb/miomod-nh-0-1/”	mio	N - H	dftb.org
“dftb/siband-1-1/”		Si, O, H	dftb.org
“dftb/tiorg-0-1/”	mio	Ti - (C, H, N, O, S, Ti)	dftb.org
“dftb/trans3d-0-1/”	mio	Sc - (H, C, N, O, Sc) | Ti - (H, C, N, O, Ti) | Fe - (H, C, N, O, Fe) | Co - (H, C, N, O, Co) | Ni - (H, C, N, O, Ni)	dftb.org
“dftb/znorg-0-1/”	mio	Zn - (C, H, N, O, S, Zn)	dftb.org

Important

The parameters in the dftb directory are distributed by the dftb.org consortium under the Creative Commons Attribution-ShareAlike 4.0 International License. The use in part or in whole of this data is permitted only under the condition that the scientific background of the Licensed Material will be cited in any publications arising from its use. The required references are specified in the links to the corresponding dftb.org page, for each of the parameter sets in the table above.

Table 41 Self-consistent Slater–Koster DFTB style parameters for electronic structure and total energy calculations using the Hotbit format. The basis set directory is used together with the functions HotbitDirectory and PairPotential.

Basis set directory	Elements	Reference
“hotbit/standard”	H, C, N	https://github.com/pekkosk/hotbit
“hotbit/standard”	H, C, O	https://github.com/pekkosk/hotbit
“hotbit/standard”	C, Au	https://github.com/pekkosk/hotbit
“hotbit/standard”	Na	https://github.com/pekkosk/hotbit
“hotbit/inofficial”	Na, Cl	https://github.com/pekkosk/hotbit
“hotbit/inofficial”	Mg	https://github.com/pekkosk/hotbit
“hotbit/CC_pi”	C (\(\pi\)-model faked as H)	https://github.com/pekkosk/hotbit

Table 42 NRL style parameters for electronic structure and total energy calculations.

Basis set name	Elements	Reference
NRLParameters.Si_sp	Si	Bernstein et al. [3]
NRLParameters.Si_spd	Si	Bernstein et al. [3]
NRLParameters.Au	Au	Kirchhoff et al. [4]
NRLParameters.C	C	Papaconstantopoulos et al. [5]
NRLParameters.Ge_sp	Ge	Bernstein et al. [6]
NRLParameters.Ge_spd	Ge	Bernstein et al. [6]
NRLParameters.Al	Al	Yang et al. [7]
NRLParameters.SiC_sp	Si, C	Bernstein et al. [8]
NRLParameters.SiC_spd	Si, C	Bernstein et al. [8]

Non-self-consistent Slater–Koster parameters for electronic structure calculations

Basis set name	Elements	Reference
Bassani.AlP_Basis	Al, P	Jancu et al. [9]
Bassani.InAs_Basis	In, As	Jancu et al. [9]
Bassani.GaP_Basis	Ga, P	Jancu et al. [9]
Bassani.GeH_Basis	Ge, H	Jancu et al. [9]
Bassani.GaSbH_Basis	Ga, Sb, H	Jancu et al. [9]
Bassani.InPH_Basis	In, P, H	Jancu et al. [9]
Bassani.InSb_Basis	In, Sb	Jancu et al. [9]
Bassani.AlPH_Basis	Al, P, H	Jancu et al. [9]
Bassani.Ge_Basis	Ge	Jancu et al. [9]
Bassani.AlAs_Basis	Al, As	Jancu et al. [9]
Bassani.InP_Basis	In, P	Jancu et al. [9]
Bassani.GaAsH_Basis	Ga, As, H	Jancu et al. [9]
Bassani.SiH_Basis	Si, H	Jancu et al. [9]
Bassani.CH_Basis	C, H	Jancu et al. [9]
Bassani.AlAsH_Basis	Al, As, H	Jancu et al. [9]
Bassani.AlSbH_Basis	Al, Sb, H	Jancu et al. [9]
Bassani.GaPH_Basis	Ga, P, H	Jancu et al. [9]
Bassani.InAsH_Basis	In, As, H	Jancu et al. [9]
Bassani.AlSb_Basis	Al, Sb	Jancu et al. [9]
Bassani.GaSb_Basis	Ga, Sb	Jancu et al. [9]
Bassani.GaAs_Basis	Ga, As	Jancu et al. [9]
Bassani.C_Basis	C	Jancu et al. [9]
Bassani.InSbH_Basis	In, Sb, H	Jancu et al. [9]
Bassani.Si_Basis	Si	Jancu et al. [9]
Boykin.SiH_Basis	Si, H	Boykin et al. [10], Zheng et al. [11]
Boykin.InAs_Basis	In, As	Boykin et al. [12]
Boykin.Si_Basis	Si	Boykin et al. [10]
Boykin.GaAs_Basis	Ga, As	Boykin et al. [12]
Boykin.Ge_Basis	Ge	Boykin et al. [12]
Hancock.C_basis	C (\(\pi\)-model)	Hancock et al. [13]
Niquet.SiGeH_Basis, Niquet.SiGe_StrainParameters	Si, Ge, H	Niquet et al. [14]
Shinomiya.SiGe_Basis	Si, Ge	Shinomiya et al. [15]
Smidstrup.ZnO_H	Zn, O, H	Smidstrup [16]
Vogl.InAsH_Basis	In, As, H	Vogl et al. [17]
Vogl.InAs_Basis	In, As	Vogl et al. [17]
Vogl.GaP_Basis	Ga, P	Vogl et al. [17]
Vogl.GeH_Basis	Ge, H	Vogl et al. [17]
Vogl.GaSbH_Basis	Ga, Sb, H	Vogl et al. [17]
Vogl.InPH_Basis	In, P, H	Vogl et al. [17]
Vogl.AlP_Basis	Al, P	Vogl et al. [17]
Vogl.InSb_Basis	In, Sb	Vogl et al. [17]
Vogl.ZnSeH_Basis	Zn, Se, H	Vogl et al. [17]
Vogl.AlPH_Basis	Al, P, H	Vogl et al. [17]
Vogl.Ge_Basis	Ge	Vogl et al. [17]
Vogl.AlAs_Basis	Al, As	Vogl et al. [17]
Vogl.ZnTe_Basis	Zn, Te	Vogl et al. [17]
Vogl.InP_Basis	In, P	Vogl et al. [17]
Vogl.GaAsH_Basis	Ga, As, H	Vogl et al. [17]
Vogl.SiH_Basis	Si, H	Vogl et al. [17]
Vogl.CH_Basis	C, H	Vogl et al. [17]
Vogl.AlAsH_Basis	Al, As, H	Vogl et al. [17]
Vogl.ZnTeH_Basis	Zn, Te, H	Vogl et al. [17]
Vogl.GaAs_Basis	Ga, As	Vogl et al. [17]
Vogl.AlSbH_Basis	Al, Sb, H	Vogl et al. [17]
Vogl.ZnSe_Basis	Zn, Se	Vogl et al. [17]
Vogl.Sn_Basis	Sn	Vogl et al. [17]
Vogl.GaPH_Basis	Ga, P, H	Vogl et al. [17]
Vogl.SnH_Basis	Sn, H	Vogl et al. [17]
Vogl.AlSb_Basis	Al, Sb	Vogl et al. [17]
Vogl.GaSb_Basis	Ga, Sb	Vogl et al. [17]
Vogl.C_Basis	C	Vogl et al. [17]
Vogl.InSbH_Basis	In, Sb, H	Vogl et al. [17]
Vogl.Si_Basis	Si	Vogl et al. [17]

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[16]

Soren Smidstrup. Nam donec per potenti aptent etiam aliquet. Master’s thesis, Aalborg University, 2005.

[17] (1,2,3,4,5,6,7,8,9,10,11,12,13,14,15,16,17,18,19,20,21,22,23,24,25,26,27,28,29,30)

P. Vogl, Harold P. Hjalmarson, and J. D. Dow. A Semi-empirical tight-binding theory of the electronic structure of semiconductors. J. Phys. Chem. Solids, 44(5):365–378, jan 1983. URL: http://www.sciencedirect.com/science/article/pii/0022369783900641.

Extended Hückel basis sets

• Hoffmann basis set parameters

• Müller basis set parameters

• Cerda basis set parameters

Hoffmann Hückel basis set parameters

The Hoffmann Hückel basis set parameters. The unit of \(E^\rm{ion}\) is eV, while the units of \(w_i\) and \(\eta_i\) are Bohr\(^{-3/2}\) and Bohr\(^{-1}\), respectively.

H	Z = 1		CerdaHuckelParameters.Hydrogen_C2H4_Basis						\(N_V\) = 1.1988
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	1	0	-17.8384	0.50494	0.87223				\(U\) = [12.848] eV
									\(E_{VAC}\) = -6.2568 eV

B	Z = 5		CerdaHuckelParameters.Boron_BN_wurtz_Basis						\(N_V\) = 3.82181
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	2	0	-22.6243	0.66811	1.60645				\(U\) = [8, 8, 8] eV
	2	1	-16.6839	0.87705	1.63627				\(E_{VAC}\) = -6.0 eV
	3	2	-9.36241	0.70894	0.89284

B	Z = 5		CerdaHuckelParameters.Boron_BN_hexag_Basis						\(N_V\) = 3.82181
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	2	0	-21.7174	0.66811	1.60645				\(U\) = [8, 8, 8] eV
	2	1	-14.1676	0.99022	1.63627				\(E_{VAC}\) = -6.0 eV
	3	2	-5.55352	0.6544	0.89284

C	Z = 6		CerdaHuckelParameters.Carbon_graphite_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.8
	2	0	-19.8892	0.76422	2.0249				\(U\) = [10.0082, 10.0082, 10.0082] eV
	2	1	-13.08	0.27152	1.62412	0.73886	2.17687		\(E_{VAC}\) = -7.36576789 eV
	3	2	-2.04759	0.49066	1.1944

C	Z = 6		CerdaHuckelParameters.Carbon_diamond_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.8
	2	0	-21.3959	0.71927	2.0029				\(U\) = [9.99619, 9.99619, 9.99619] eV
	2	1	-15.2271	0.55108	1.63935	0.53135	3.48317		\(E_{VAC}\) = -9.432846 eV
	3	2	-4.06791	0.88307	0.86366

C	Z = 6		CerdaHuckelParameters.Carbon_GW_diamond_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.8
	2	0	-22.5994	0.77991	2.10199				\(U\) = [10.009, 10.009, 10.009] eV
	2	1	-14.7745	0.09615	1.00122	0.93068	2.16332		\(E_{VAC}\) = -9.4142981 eV
	3	2	-3.42637	0.69317	0.91626

C	Z = 6		CerdaHuckelParameters.Carbon_GW_SiC_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.8
	2	0	-19.4265	0.77991	2.10199				\(U\) = [10.207, 10.207, 10.207] eV
	2	1	-12.8029	0.09614	1.00122	0.93069	2.16335		\(E_{VAC}\) = -6.14175 eV
	3	2	-1.62663	0.69317	0.91626

C	Z = 6		CerdaHuckelParameters.Carbon_C2H4_Basis						\(N_V\) = 3.60238
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.8
	2	0	-18.4006	0.7449	2.04927				\(U\) = [10.207, 10.207, 10.207] eV
	2	1	-12.3453	0.74031	1.71703	0.3554	3.31214		\(E_{VAC}\) = -6.2568 eV
	3	2	-3.53572	0.76455	0.94043

N	Z = 7		CerdaHuckelParameters.Nitrogen_BN_wurtz_Basis						\(N_V\) = 4.17819
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	2	0	-27.127	1	2.74251				\(U\) = [11.052, 11.052, 11.052] eV
	2	1	-17.5276	1	2.26145				\(E_{VAC}\) = -6.0 eV
	3	2	-5.60857	0.37978	0.62169

N	Z = 7		CerdaHuckelParameters.Nitrogen_BN_hexag_Basis						\(N_V\) = 4.17819
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	2	0	-26.4216	1	2.74251				\(U\) = [11.052, 11.052, 11.052] eV
	2	1	-17.0156	1	2.26145				\(E_{VAC}\) = -6.0 eV
	3	2	-3.59026	0.51048	0.62169

Al	Z = 13		CerdaHuckelParameters.Aluminium_fcc_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-12.9807	0.72564	1.62763				\(U\) = [5.9724, 5.9724, 5.9724] eV
	3	1	-8.90927	0.71507	1.28508				\(E_{VAC}\) = -5.74486 eV
	3	2	-4.66958	0.77928	0.88276

Al	Z = 13		CerdaHuckelParameters.Aluminium_AlP_GW_Basis						\(N_V\) = 2.82759
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-14.3073	0.72564	1.62763				\(U\) = [5.682, 5.682, 5.682] eV
	3	1	-9.67525	0.71507	1.28508				\(E_{VAC}\) = -6.4482586 eV
	3	2	-4.88276	0.77928	0.88276

Al	Z = 13		CerdaHuckelParameters.Aluminium_AlAs_GW_Basis						\(N_V\) = 2.81319
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-14.7568	0.72564	1.62763				\(U\) = [5.682, 5.682, 5.682] eV
	3	1	-10.2301	0.71507	1.28508				\(E_{VAC}\) = -6.8946 eV
	3	2	-4.7515	0.77928	0.88276

Si	Z = 14		CerdaHuckelParameters.Silicon_diamond_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-18.0388	0.65715	1.78044				\(U\) = [7.08, 7.08, 7.08] eV
	3	1	-11.8203	0.81839	1.61427				\(E_{VAC}\) = -7.756917 eV
	3	2	-6.3232	0.56273	0.79668	0.65807	2.49718

Si	Z = 14		CerdaHuckelParameters.Silicon_GW_diamond_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-18.1026	0.70366	1.83611				\(U\) = [7.08252, 7.08252, 7.08252] eV
	3	1	-11.253	0.0277	0.78901	0.98313	1.70988		\(E_{VAC}\) = -7.67047 eV
	3	2	-5.34706	0.68383	0.68292	0.46957	1.72102

Si	Z = 14		CerdaHuckelParameters.Silicon_GW_SiC_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-19.4736	0.70366	1.83611				\(U\) = [6.964, 6.964, 6.964] eV
	3	1	-11.9665	0.0277	0.78901	0.98313	1.70988		\(E_{VAC}\) = -6.14175 eV
	3	2	-6.45414	0.68383	0.68292	0.46957	1.72102

P	Z = 15		CerdaHuckelParameters.Phosphorus_AlP_GW_Basis						\(N_V\) = 5.172410000000001
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-20.9897	0.64007	1.9419				\(U\) = [9.878, 9.878, 9.878] eV
	3	1	-12.8889	0.71876	1.68957	0.344	3.05784		\(E_{VAC}\) = -6.4482586 eV
	3	2	-3.60739	0.79107	0.89643

P	Z = 15		CerdaHuckelParameters.Phosphorus_GaP_GW_Basis						\(N_V\) = 5.13542
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-21.3273	0.64007	1.9419				\(U\) = [9.88788, 9.88788, 9.88788] eV
	3	1	-13.1613	0.71876	1.68957	0.344	3.05784		\(E_{VAC}\) = -6.88753 eV
	3	2	-4.58537	0.79107	0.89643

P	Z = 15		CerdaHuckelParameters.Phosphorus_InP_GW_Basis						\(N_V\) = 5.44879
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	3	0	-21.2204	0.64007	1.9419				\(U\) = [9.878, 9.878, 9.878] eV
	3	1	-13.2123	0.71876	1.68957	0.344	3.05784		\(E_{VAC}\) = -6.92207 eV
	3	2	-4.89407	0.79107	0.89643

Sc	Z = 21		CerdaHuckelParameters.Scandium_hcp_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-8.36905	0.65566	1.41412				\(U\) = [4.36767, 4.36767, 8.58] eV
	4	1	-5.82003	0.66104	1.16027				\(E_{VAC}\) = -6.4737072 eV
	3	2	-8.36623	0.58803	1.39314

Sc	Z = 21		CerdaHuckelParameters.Scandium_bcc_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-8.27398	0.65566	1.41412				\(U\) = [4.39116, 4.39116, 8.58] eV
	4	1	-5.68802	0.66104	1.16027				\(E_{VAC}\) = -6.470326 eV
	3	2	-8.43933	0.58803	1.39314

Ti	Z = 22		CerdaHuckelParameters.Titanium_hcp_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-7.84958	0.45558	0.89722				\(U\) = [4.11888, 4.11888, 9.386] eV
	4	1	-7.32609	0.49494	1.00909				\(E_{VAC}\) = -5.5560624 eV
	3	2	-9.42441	0.28536	1.15327	0.81231	2.63915

Ti	Z = 22		CerdaHuckelParameters.Titanium_fcc_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-7.70802	0.45558	0.89722				\(U\) = [4.13142, 4.13142, 9.386] eV
	4	1	-7.21524	0.49494	1.00909				\(E_{VAC}\) = -5.4606502 eV
	3	2	-9.27229	0.28536	1.15327	0.81231	2.63915

Ti	Z = 22		CerdaHuckelParameters.Titanium_bcc_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-7.61918	0.45558	0.89722				\(U\) = [4.11491, 4.11491, 9.386] eV
	4	1	-7.129	0.49494	1.00909				\(E_{VAC}\) = -5.881899 eV
	3	2	-9.08015	0.28536	1.15327	0.81231	2.63915

V	Z = 23		CerdaHuckelParameters.Vanadium_bcc_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-7.902	0.88449	1.51793				\(U\) = [4.8865, 4.8865, 10.1] eV
	4	1	-5.37821	0.66078	1.30693				\(E_{VAC}\) = -5.8156347 eV
	3	2	-9.44229	0.62062	1.68218

Cr	Z = 24		CerdaHuckelParameters.Chromium_bcc_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-8.07927	0.64199	0.99961				\(U\) = [4.41663, 4.41663, 10.75] eV
	4	1	-7.26305	0.58547	1.10362				\(E_{VAC}\) = -5.6996914 eV
	3	2	-10.7296	0.33576	1.45656	0.7694	3.27523

Mn	Z = 25		CerdaHuckelParameters.Manganese_fcc_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-8.93247	0.60538	1.39823				\(U\) = [4.98099, 4.98099, 11.35] eV
	4	1	-6.56812	0.59765	1.20449				\(E_{VAC}\) = -5.921038 eV
	3	2	-10.8763	0.3231	1.52037	0.78115	3.44592

Mn	Z = 25		CerdaHuckelParameters.Manganese_bcc_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-9.14276	0.60538	1.39823				\(U\) = [4.91258, 4.91258, 11.35] eV
	4	1	-6.92114	0.59765	1.20449				\(E_{VAC}\) = -5.91948471 eV
	3	2	-11.2151	0.3231	1.52037	0.78115	3.44592

Fe	Z = 26		CerdaHuckelParameters.Iron_bcc_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-9.39204	0.5892	1.4884				\(U\) = [5.13145, 5.13145, 11.92] eV
	4	1	-6.66953	0.59596	1.25262				\(E_{VAC}\) = -5.20999981 eV
	3	2	-11.4024	0.26494	1.48912	0.82466	3.3483

Co	Z = 27		CerdaHuckelParameters.Cobalt_fcc_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-9.90499	0.53969	1.48379				\(U\) = [5.18117, 5.18117, 12.47] eV
	4	1	-6.97352	0.59446	1.2556				\(E_{VAC}\) = -4.95579 eV
	3	2	-11.7395	0.24393	1.4872	0.84379	3.41646

Co	Z = 27		CerdaHuckelParameters.Cobalt_hcp_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-10.0487	0.53969	1.48379				\(U\) = [5.14334, 5.14334, 12.47] eV
	4	1	-7.18148	0.59446	1.2556				\(E_{VAC}\) = -5.0868314 eV
	3	2	-11.7495	0.24393	1.4872	0.84379	3.41646

Ni	Z = 28		CerdaHuckelParameters.Nickel_fcc_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-9.7934	0.60557	1.58729				\(U\) = [5.36667, 5.36667, 12.99] eV
	4	1	-6.69928	0.61588	1.29812				\(E_{VAC}\) = -4.6469427 eV
	3	2	-11.7794	0.29586	1.63992	0.81374	3.94689

Cu	Z = 29		CerdaHuckelParameters.Copper_fcc_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-10.5742	0.6063	1.69318				\(U\) = [4.34198, 4.34198, 11.22] eV
	4	1	-6.86172	0.63888	1.33731				\(E_{VAC}\) = -5.1780533 eV
	3	2	-12.8961	0.32382	1.79662	0.82655	5.14331

Zn	Z = 30		CerdaHuckelParameters.Zinc_fcc_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-12.9625	1	2.36615				\(U\) = [4.98932, 4.98932, 13.99] eV
	4	1	-9.23345	0.4167	1.63016				\(E_{VAC}\) = -6.67286 eV
	3	2	-18.035	0.15524	2.01067	0.87781	3.565

Ga	Z = 31		CerdaHuckelParameters.Gallium_fcc_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-14.5101	0.67038	2.03484				\(U\) = [6.32012, 6.32012, 6.32012] eV
	4	1	-8.56214	0.71632	1.63083				\(E_{VAC}\) = -5.6833707 eV
	4	2	-3.16883	0.89901	0.90717

Ga	Z = 31		CerdaHuckelParameters.Gallium_GaP_GW_Basis						\(N_V\) = 2.86458
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-16.3708	0.67038	2.03484				\(U\) = [5.936, 5.936, 5.936] eV
	4	1	-10.0152	0.71632	1.63083				\(E_{VAC}\) = -6.88753 eV
	4	2	-3.79622	0.89901	0.90717

Ga	Z = 31		CerdaHuckelParameters.Gallium_GaAs_Basis						\(N_V\) = 3.7153800000000006
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-17.2549	0.57998	1.93753				\(U\) = [5.936, 5.936, 5.936] eV
	4	1	-11.2889	0.64383	1.58044				\(E_{VAC}\) = -7.60579 eV
	4	2	-6.68155	0.65154	0.9494

Ga	Z = 31		CerdaHuckelParameters.Gallium_GaAs_GW_Basis						\(N_V\) = 2.97286
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-16.9187	0.67038	2.03484				\(U\) = [5.936, 5.936, 5.936] eV
	4	1	-10.7539	0.71632	1.63083				\(E_{VAC}\) = -7.41 eV
	4	2	-3.96693	0.89901	0.90717

As	Z = 33		CerdaHuckelParameters.Arsenic_AlAs_GW_Basis						\(N_V\) = 5.1868099999999995
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-21.9456	0.54624	2.19335				\(U\) = [8.399, 8.399, 8.399] eV
	4	1	-13.0744	0.7307	1.9686				\(E_{VAC}\) = -6.8946024 eV
	4	2	-3.38857	0.9902	0.94359

As	Z = 33		CerdaHuckelParameters.Arsenic_GaAs_Basis						\(N_V\) = 4.28462
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-20.6851	0.62857	2.2775				\(U\) = [8.399, 8.399, 8.399] eV
	4	1	-12.1021	0.999	2.28904				\(E_{VAC}\) = -7.60579 eV
	4	2	-3.36392	0.9902	1.67268

As	Z = 33		CerdaHuckelParameters.Arsenic_GaAs_GW_Basis						\(N_V\) = 5.02714
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-22.1472	0.54624	2.19335				\(U\) = [8.399, 8.399, 8.399] eV
	4	1	-13.1706	0.7307	1.9686				\(E_{VAC}\) = -7.41 eV
	4	2	-4.137	0.9902	0.94359

As	Z = 33		CerdaHuckelParameters.Arsenic_InAs_GW_Basis						\(N_V\) = 5.40319
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	4	0	-22.0247	0.54624	2.19335				\(U\) = [8.399, 8.399, 8.399] eV
	4	1	-13.2078	0.7307	1.9686				\(E_{VAC}\) = -7.5043 eV
	4	2	-4.6414	0.9902	0.94359

Y	Z = 39		CerdaHuckelParameters.Yttrium_fcc_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.45573	0.66414	1.62475				\(U\) = [4.21408, 4.21408, 6.529] eV
	5	1	-5.03686	0.72293	1.30361				\(E_{VAC}\) = -6.0 eV
	4	2	-8.01171	0.68038	1.58038

Y	Z = 39		CerdaHuckelParameters.Yttrium_hcp_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.47712	0.66414	1.62475				\(U\) = [4.18435, 4.18435, 6.529] eV
	5	1	-5.08407	0.72293	1.30361				\(E_{VAC}\) = -6.0 eV
	4	2	-7.99731	0.68038	1.58038

Zr	Z = 40		CerdaHuckelParameters.Zirconium_hcp_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.21277	0.66589	1.56164				\(U\) = [4.48138, 4.48138, 7.307] eV
	5	1	-6.00133	0.53606	1.2688				\(E_{VAC}\) = -5.9781231 eV
	4	2	-9.03884	0.61574	1.66473	0.64065	5.0542

Zr	Z = 40		CerdaHuckelParameters.Zirconium_fcc_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.08839	0.66589	1.56164				\(U\) = [4.32906, 4.32906, 7.307] eV
	5	1	-5.73102	0.53606	1.2688				\(E_{VAC}\) = -5.9683992 eV
	4	2	-8.94122	0.61574	1.66473	0.64065	5.0542

Zr	Z = 40		CerdaHuckelParameters.Zirconium_bcc_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-7.8852	0.66589	1.56164				\(U\) = [4.55723, 4.55723, 7.307] eV
	5	1	-5.58256	0.53606	1.2688				\(E_{VAC}\) = -6.026187 eV
	4	2	-8.74286	0.61574	1.66473	0.64065	5.0542

Nb	Z = 41		CerdaHuckelParameters.Niobium_bcc_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-7.83515	0.78125	1.66071				\(U\) = [4.34576, 4.34576, 6.92] eV
	5	1	-5.03085	0.68753	1.27372				\(E_{VAC}\) = -5.79099796 eV
	4	2	-9.3306	0.68669	1.85049

Mo	Z = 42		CerdaHuckelParameters.Molybdenum_bcc_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.36662	0.83018	1.72218				\(U\) = [4.26433, 4.26433, 7.689] eV
	5	1	-5.39352	0.72696	1.3365				\(E_{VAC}\) = -5.194213 eV
	4	2	-10.8671	0.67217	1.9978

Tc	Z = 43		CerdaHuckelParameters.Technetium_hcp_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.50569	0.77154	1.64956				\(U\) = [5.02966, 5.02966, 9.207] eV
	5	1	-5.74739	0.63636	1.36162				\(E_{VAC}\) = -7.5148955 eV
	4	2	-11.4215	0.45903	1.87926	0.66939	3.90392

Tc	Z = 43		CerdaHuckelParameters.Technetium_fcc_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.2267	0.77154	1.64956				\(U\) = [5.02277, 5.02277, 9.207] eV
	5	1	-5.70711	0.63636	1.36162				\(E_{VAC}\) = -7.4558211 eV
	4	2	-11.3582	0.45903	1.87926	0.66939	3.90392

Ru	Z = 44		CerdaHuckelParameters.Ruthenium_hcp_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-9.32602	0.60076	1.63558				\(U\) = [4.16207, 4.16207, 8.907] eV
	5	1	-6.34065	0.58839	1.37066				\(E_{VAC}\) = -5.5914432 eV
	4	2	-12.4218	0.27066	1.71196	0.80993	3.31356

Ru	Z = 44		CerdaHuckelParameters.Ruthenium_fcc_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-8.84268	0.60076	1.63558				\(U\) = [4.19692, 4.19692, 8.907] eV
	5	1	-6.06874	0.58839	1.37066				\(E_{VAC}\) = -5.1774836 eV
	4	2	-11.9364	0.27066	1.71196	0.80993	3.31356

Rh	Z = 45		CerdaHuckelParameters.Rhodium_fcc_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-9.22928	0.72992	1.86894				\(U\) = [4.56908, 4.56908, 9.455] eV
	5	1	-5.15799	0.71084	1.40344				\(E_{VAC}\) = -4.9623528 eV
	4	2	-12.433	0.41591	2.00068	0.70707	4.15195

Pd	Z = 46		CerdaHuckelParameters.Palladium_fcc_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-9.07916	0.63338	1.77352				\(U\) = [5.772, 5.772, 9.047] eV
	5	1	-5.8727	0.64064	1.43651				\(E_{VAC}\) = -4.387488 eV
	4	2	-12.3746	0.31704	1.9082	0.78406	3.88573

Ag	Z = 47		CerdaHuckelParameters.Silver_fcc_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-10.3592	0.61985	1.91661				\(U\) = [5.06366, 5.06366, 10.48] eV
	5	1	-6.20001	0.66651	1.50982				\(E_{VAC}\) = -5.43566 eV
	4	2	-14.5109	0.28692	2.01944	0.80921	4.14345

Cd	Z = 48		CerdaHuckelParameters.Cadmium_fcc_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-12.3344	0.60994	2.10439				\(U\) = [5.21713, 5.21713, 11.64] eV
	5	1	-7.85805	0.5758	1.66558				\(E_{VAC}\) = -5.7843316 eV
	4	2	-19.8661	0.93688	14.8833	0.32073	2.31681

In	Z = 49		CerdaHuckelParameters.Indium_fcc_Basis						\(N_V\) = 3.0000000000000004
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-13.9371	0.59101	2.11757				\(U\) = [5.83205, 5.83205, 5.83205] eV
	5	1	-8.22964	0.71392	1.84269				\(E_{VAC}\) = -5.904437 eV
	5	2	-3.54891	0.61732	1.02658

In	Z = 49		CerdaHuckelParameters.Indium_InP_GW_Basis						\(N_V\) = 2.55121
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-15.9796	0.59101	2.11757				\(U\) = [5.53, 5.53, 5.53] eV
	5	1	-9.05671	0.71392	1.84269				\(E_{VAC}\) = -6.92207 eV
	5	2	-3.77804	0.61732	1.02658

In	Z = 49		CerdaHuckelParameters.Indium_InAs_GW_Basis						\(N_V\) = 2.5968099999999996
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	5	0	-16.4496	0.59101	2.11757				\(U\) = [5.53, 5.53, 5.53] eV
	5	1	-9.83157	0.71392	1.84269				\(E_{VAC}\) = -7.5043 eV
	5	2	-3.6995	0.61732	1.02658

W	Z = 74		CerdaHuckelParameters.Tungsten_bcc_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	6	0	-10.5819	0.80244	2.30427				\(U\) = [4.69614, 4.69614, 8.228] eV
	6	1	-5.53905	0.68049	1.72283				\(E_{VAC}\) = -5.6645015 eV
	5	2	-10.7394	0.69067	2.3028

Re	Z = 75		CerdaHuckelParameters.Rhenium_hcp_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	6	0	-10.004	0.20733	1.6507	0.84382	2.6424		\(U\) = [4.80643, 4.80643, 8.704] eV
	6	1	-5.98158	0.76128	1.58733				\(E_{VAC}\) = -5.453634 eV
	5	2	-11.3579	0.65008	2.33586

Ir	Z = 77		CerdaHuckelParameters.Iridium_fcc_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	6	0	-12.1196	0.64865	2.32336				\(U\) = [4.88371, 4.88371, 9.555] eV
	6	1	-6.44135	0.69422	1.80105				\(E_{VAC}\) = -4.2382022 eV
	5	2	-13.1059	0.32075	2.16073	0.77521	4.01172

Pt	Z = 78		CerdaHuckelParameters.Platinum_fcc_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	6	0	-11.7091	0.65212	2.32872				\(U\) = [3.97472, 3.97472, 8.579] eV
	6	1	-6.08105	0.7288	1.77159				\(E_{VAC}\) = -4.0783659 eV
	5	2	-13.301	0.38501	2.30384	0.74491	4.63467

Au	Z = 79		CerdaHuckelParameters.Gold_fcc_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 2.3
	6	0	-12.1342	0.60326	2.31605				\(U\) = [4.37908, 4.37908, 9.852] eV
	6	1	-6.73967	0.62661	1.74458				\(E_{VAC}\) = -4.8533 eV
	5	2	-14.0257	0.37598	2.32731	0.79437	5.44496

Müller Hückel basis set parameters

The Müller Hückel basis set parameters. The unit of \(E^\rm{ion}\) is eV, while the units of \(w_i\) and \(\eta_i\) are Bohr\(^{-3/2}\) and Bohr\(^{-1}\), respectively.

H	Z = 1		HoffmannHuckelParameters.Hydrogen_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	1	0	-13.6	1	1.3				\(U\) = [12.848] eV
									\(E_{VAC}\) = 0.0 eV

He	Z = 2		HoffmannHuckelParameters.Helium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	1	0	-23.4	1	1.688				\(U\) = [9] eV
									\(E_{VAC}\) = 0.0 eV

Li	Z = 3		HoffmannHuckelParameters.Lithium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-5.4	1	0.65				\(U\) = [3.469, 3.469] eV
	2	1	-3.5	1	0.65				\(E_{VAC}\) = 0.0 eV

Be	Z = 4		HoffmannHuckelParameters.Beryllium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-10	1	0.975				\(U\) = [5.935, 5.935] eV
	2	1	-6	1	0.975				\(E_{VAC}\) = 0.0 eV

B	Z = 5		HoffmannHuckelParameters.Boron_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-15.2	1	1.3				\(U\) = [8, 8] eV
	2	1	-8.5	1	1.3				\(E_{VAC}\) = 0.0 eV

C	Z = 6		HoffmannHuckelParameters.Carbon_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-21.4	1	1.625				\(U\) = [10.207, 10.207] eV
	2	1	-11.4	1	1.625				\(E_{VAC}\) = 0.0 eV

N	Z = 7		HoffmannHuckelParameters.Nitrogen_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-26	1	1.95				\(U\) = [11.052, 11.052] eV
	2	1	-13.4	1	1.95				\(E_{VAC}\) = 0.0 eV

O	Z = 8		HoffmannHuckelParameters.Oxygen_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-32.3	1	2.275				\(U\) = [13.625, 13.625] eV
	2	1	-14.8	1	2.275				\(E_{VAC}\) = 0.0 eV

F	Z = 9		HoffmannHuckelParameters.Fluorine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-40	1	2.425				\(U\) = [15.054, 15.054] eV
	2	1	-18.1	1	2.425				\(E_{VAC}\) = 0.0 eV

Ne	Z = 10		HoffmannHuckelParameters.Neon_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-43.2	1	2.879				\(U\) = [9, 9] eV
	2	1	-20	1	2.879				\(E_{VAC}\) = 0.0 eV

Na	Z = 11		HoffmannHuckelParameters.Sodium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-5.1	1	0.733				\(U\) = [2.982, 2.982] eV
	3	1	-3	1	0.733				\(E_{VAC}\) = 0.0 eV

Mg	Z = 12		HoffmannHuckelParameters.Magnesium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-9	1	1.1				\(U\) = [4.623, 4.623] eV
	3	1	-4.5	1	1.1				\(E_{VAC}\) = 0.0 eV

Al	Z = 13		HoffmannHuckelParameters.Aluminium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-12.3	1	1.167				\(U\) = [5.682, 5.682] eV
	3	1	-6.5	1	1.167				\(E_{VAC}\) = 0.0 eV

Si	Z = 14		HoffmannHuckelParameters.Silicon_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-17.3	1	1.383				\(U\) = [6.964, 6.964] eV
	3	1	-9.2	1	1.383				\(E_{VAC}\) = 0.0 eV

P	Z = 15		HoffmannHuckelParameters.Phosphorus_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-18.6	1	1.75				\(U\) = [9.878, 9.878] eV
	3	1	-14	1	1.3				\(E_{VAC}\) = 0.0 eV

S	Z = 16		HoffmannHuckelParameters.Sulfur_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-20	1	2.122				\(U\) = [9.205, 9.205] eV
	3	1	-11	1	1.827				\(E_{VAC}\) = 0.0 eV

Cl	Z = 17		HoffmannHuckelParameters.Chlorine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-26.3	1	2.183				\(U\) = [10.292, 10.292] eV
	3	1	-14.2	1	1.733				\(E_{VAC}\) = 0.0 eV

K	Z = 19		HoffmannHuckelParameters.Potassium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-4.34	1	0.874				\(U\) = [3.702, 3.702] eV
	4	1	-2.73	1	0.874				\(E_{VAC}\) = 0.0 eV

Ca	Z = 20		HoffmannHuckelParameters.Calcium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-7	1	1.2				\(U\) = [9, 9] eV
	4	1	-4	1	1.2				\(E_{VAC}\) = 0.0 eV

Sc	Z = 21		HoffmannHuckelParameters.Scandium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-8.87	1	1.3				\(U\) = [9, 9, 9] eV
	4	1	-2.75	1	1.3				\(E_{VAC}\) = 0.0 eV
	3	2	-8.51	0.422783	4.35	0.72757	1.7

Ti	Z = 22		HoffmannHuckelParameters.Titanium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-8.97	1	1.075				\(U\) = [9, 9, 9] eV
	4	1	-5.44	1	1.075				\(E_{VAC}\) = 0.0 eV
	3	2	-10.81	0.420607	4.55	0.783913	1.4

V	Z = 23		HoffmannHuckelParameters.Vanadium_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-8.81	1	1.3				\(U\) = [9, 9, 9] eV
	4	1	-5.52	1	1.3				\(E_{VAC}\) = 0.0 eV
	3	2	-11	0.475509	4.75	0.705213	1.7

Cr	Z = 24		HoffmannHuckelParameters.Chromium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-8.66	1	1.7				\(U\) = [9, 9, 9] eV
	4	1	-5.24	1	1.7				\(E_{VAC}\) = 0.0 eV
	3	2	-11.22	0.505792	4.95	0.674723	1.8

Mn	Z = 25		HoffmannHuckelParameters.Manganese_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-9.75	1	0.97				\(U\) = [9, 9, 9] eV
	4	1	-5.89	1	0.97				\(E_{VAC}\) = 0.0 eV
	3	2	-11.67	0.513906	5.15	0.692909	1.7

Fe	Z = 26		HoffmannHuckelParameters.Iron_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-9.1	1	1.9				\(U\) = [9, 9, 9] eV
	4	1	-5.32	1	1.9				\(E_{VAC}\) = 0.0 eV
	3	2	-12.6	0.5505	5.35	0.626	2

Co	Z = 27		HoffmannHuckelParameters.Cobalt_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-9.21	1	2				\(U\) = [9, 9, 9] eV
	4	1	-5.29	1	2				\(E_{VAC}\) = 0.0 eV
	3	2	-13.18	0.567865	5.55	0.605856	2.1

Ni	Z = 28		HoffmannHuckelParameters.Nickel_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-10.95	1	2.1				\(U\) = [9, 9, 9] eV
	4	1	-6.27	1	2.1				\(E_{VAC}\) = 0.0 eV
	3	2	-14.2	0.549306	5.75	0.60817	2.3

Cu	Z = 29		HoffmannHuckelParameters.Copper_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-11.4	1	2.2				\(U\) = [9, 9, 9] eV
	4	1	-6.06	1	2.2				\(E_{VAC}\) = 0.0 eV
	3	2	-14	0.593322	5.95	0.574421	2.3

Zn	Z = 30		HoffmannHuckelParameters.Zinc_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-12.41	1	2.01				\(U\) = [9, 9] eV
	4	1	-6.53	1	1.7				\(E_{VAC}\) = 0.0 eV

Ga	Z = 31		HoffmannHuckelParameters.Gallium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-14.58	1	1.77				\(U\) = [5.936, 5.936] eV
	4	1	-6.75	1	1.55				\(E_{VAC}\) = 0.0 eV

Ge	Z = 32		HoffmannHuckelParameters.Germanium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-16	1	2.16				\(U\) = [6.608, 6.608] eV
	4	1	-9	1	1.85				\(E_{VAC}\) = 0.0 eV

As	Z = 33		HoffmannHuckelParameters.Arsenic_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-16.22	1	2.23				\(U\) = [8.399, 8.399] eV
	4	1	-12.16	1	1.89				\(E_{VAC}\) = 0.0 eV

Se	Z = 34		HoffmannHuckelParameters.Selenium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-20.5	1	2.44				\(U\) = [9.121, 9.121] eV
	4	1	-14.4	1	2.07				\(E_{VAC}\) = 0.0 eV

Br	Z = 35		HoffmannHuckelParameters.Bromine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-22.07	1	2.588				\(U\) = [8.823, 8.823] eV
	4	1	-13.1	1	2.131				\(E_{VAC}\) = 0.0 eV

Rb	Z = 37		HoffmannHuckelParameters.Rubidium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-4.18	1	0.997				\(U\) = [2.495, 2.495] eV
	5	1	-2.6	1	0.997				\(E_{VAC}\) = 0.0 eV

Sr	Z = 38		HoffmannHuckelParameters.Strontium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-6.62	1	1.214				\(U\) = [9, 9] eV
	5	1	-3.92	1	1.214				\(E_{VAC}\) = 0.0 eV

Zr	Z = 40		HoffmannHuckelParameters.Zirconium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-9.87	1	1.817				\(U\) = [9, 9, 9] eV
	5	1	-6.76	1	1.776				\(E_{VAC}\) = 0.0 eV
	4	2	-11.18	0.622416	3.835	0.578216	1.505

Nb	Z = 41		HoffmannHuckelParameters.Niobium_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-10.1	1	1.89				\(U\) = [9, 9, 9] eV
	5	1	-6.86	1	1.85				\(E_{VAC}\) = 0.0 eV
	4	2	-12.1	0.640101	4.08	0.551601	1.64

Mo	Z = 42		HoffmannHuckelParameters.Molybdenum_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-8.34	1	1.96				\(U\) = [9, 9, 9] eV
	5	1	-5.24	1	1.9				\(E_{VAC}\) = 0.0 eV
	4	2	-10.5	0.589879	4.54	0.589879	1.9

Tc	Z = 43		HoffmannHuckelParameters.Technetium_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-10.07	1	2.018				\(U\) = [9, 9, 9] eV
	5	1	-5.4	1	1.984				\(E_{VAC}\) = 0.0 eV
	4	2	-12.82	0.5715	4.9	0.6012	2.094

Ru	Z = 44		HoffmannHuckelParameters.Ruthenium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-10.4	1	2.08				\(U\) = [9, 9, 9] eV
	5	1	-6.87	1	2.04				\(E_{VAC}\) = 0.0 eV
	4	2	-14.9	0.534242	5.38	0.636789	2.3

Rh	Z = 45		HoffmannHuckelParameters.Rhodium_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-8.09	1	2.135				\(U\) = [9, 9, 9] eV
	5	1	-4.57	1	2.1				\(E_{VAC}\) = 0.0 eV
	4	2	-12.5	0.580698	4.29	0.568498	1.97

Pd	Z = 46		HoffmannHuckelParameters.Palladium_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-7.32	1	2.19				\(U\) = [9, 9, 9] eV
	5	1	-3.75	1	2.152				\(E_{VAC}\) = 0.0 eV
	4	2	-12.02	0.526436	5.983	0.637334	2.613

Cd	Z = 48		HoffmannHuckelParameters.Cadmium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-11.8	1	1.64				\(U\) = [9, 9] eV
	5	1	-8.2	1	1.6				\(E_{VAC}\) = 0.0 eV

In	Z = 49		HoffmannHuckelParameters.Indium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-12.6	1	1.903				\(U\) = [5.53, 5.53] eV
	5	1	-6.19	1	1.677				\(E_{VAC}\) = 0.0 eV

Sn	Z = 50		HoffmannHuckelParameters.Tin_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-16.16	1	2.12				\(U\) = [4.297, 4.297] eV
	5	1	-8.32	1	1.82				\(E_{VAC}\) = 0.0 eV

Sb	Z = 51		HoffmannHuckelParameters.Antimony_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-18.8	1	2.323				\(U\) = [7.657, 7.657] eV
	5	1	-11.7	1	1.999				\(E_{VAC}\) = 0.0 eV

Te	Z = 52		HoffmannHuckelParameters.Tellurium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-20.8	1	2.51				\(U\) = [8.985, 8.985] eV
	5	1	-14.8	1	2.16				\(E_{VAC}\) = 0.0 eV

I	Z = 53		HoffmannHuckelParameters.Iodine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-18	1	2.679				\(U\) = [9.448, 9.448] eV
	5	1	-12.7	1	2.322				\(E_{VAC}\) = 0.0 eV

Cs	Z = 55		HoffmannHuckelParameters.Caesium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-3.88	1	1.06				\(U\) = [9, 9] eV
	6	1	-2.49	1	1.06				\(E_{VAC}\) = 0.0 eV

La	Z = 57		HoffmannHuckelParameters.Lanthanum_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-7.67	1	2.14				\(U\) = [9, 9, 9] eV
	6	1	-5.01	1	2.08				\(E_{VAC}\) = 0.0 eV
	5	2	-8.21	0.776515	3.78	0.458609	1.381

Ce	Z = 58		HoffmannHuckelParameters.Cerium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.97	1	1.799				\(U\) = [9, 9, 9, 9] eV
	6	1	-4.97	1	1.799				\(E_{VAC}\) = 0.0 eV
	5	2	-6.43	1	2.747
	4	3	-11.28	1	3.907

Sm	Z = 62		HoffmannHuckelParameters.Samarium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.86	1	1.4				\(U\) = [9, 9, 9, 9] eV
	6	1	-4.86	1	1.4				\(E_{VAC}\) = 0.0 eV
	5	2	-6.06	0.718435	2.747	0.444722	1.267
	4	3	-11.28	0.735406	6.907	0.459703	2.639

Gd	Z = 64		HoffmannHuckelParameters.Gadolinium_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-5.44	1	1.369				\(U\) = [9, 9, 9] eV
	5	2	-6.06	0.718435	2.747	0.444722	1.267		\(E_{VAC}\) = 0.0 eV
	4	3	-11.28	0.735406	6.907	0.459703	2.639

Yb	Z = 70		HoffmannHuckelParameters.Ytterbium_Basis						\(N_V\) = 16.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-5.35	1	1.54				\(U\) = [9, 9, 9, 9] eV
	6	1	-5.35	1	1.54				\(E_{VAC}\) = 0.0 eV
	5	2	-5.21	0.706344	2.81	0.48343	1.216
	4	3	-13.86	0.746226	8.629	0.456538	3.198

Lu	Z = 71		HoffmannHuckelParameters.Lutetium_Basis						\(N_V\) = 17.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-6.05	1	1.666				\(U\) = [9, 9, 9, 9] eV
	6	1	-6.05	1	1.666				\(E_{VAC}\) = 0.0 eV
	5	2	-5.12	0.704411	2.813	0.488008	1.21
	4	3	-22.4	0.733001	9.136	0.445901	3.666

Ta	Z = 73		HoffmannHuckelParameters.Tantalum_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-10.1	1	2.28				\(U\) = [9, 9, 9] eV
	6	1	-6.86	1	2.241				\(E_{VAC}\) = 0.0 eV
	5	2	-12.1	0.610612	4.762	0.610612	1.938

W	Z = 74		HoffmannHuckelParameters.Tungsten_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-8.26	1	2.341				\(U\) = [9, 9, 9] eV
	6	1	-5.17	1	2.309				\(E_{VAC}\) = 0.0 eV
	5	2	-10.37	0.668535	4.982	0.542438	2.068

Re	Z = 75		HoffmannHuckelParameters.Rhenium_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-9.36	1	2.398				\(U\) = [9, 9, 9] eV
	6	1	-5.96	1	2.372				\(E_{VAC}\) = 0.0 eV
	5	2	-12.66	0.637752	5.343	0.565763	2.277

Os	Z = 76		HoffmannHuckelParameters.Osmium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-8.17	1	2.452				\(U\) = [9, 9, 9] eV
	6	1	-4.81	1	2.429				\(E_{VAC}\) = 0.0 eV
	5	2	-11.84	0.637195	5.571	0.559795	2.416

Ir	Z = 77		HoffmannHuckelParameters.Iridium_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-11.36	1	2.5				\(U\) = [9, 9, 9] eV
	6	1	-4.5	1	2.2				\(E_{VAC}\) = 0.0 eV
	5	2	-12.17	0.635059	5.796	0.555605	2.557

Pt	Z = 78		HoffmannHuckelParameters.Platinum_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-9.077	1	2.554				\(U\) = [8.604, 8.604, 8.604] eV
	6	1	-5.475	1	2.554				\(E_{VAC}\) = 0.0 eV
	5	2	-12.59	0.633378	6.013	0.551281	2.696

Au	Z = 79		HoffmannHuckelParameters.Gold_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-10.92	1	2.602				\(U\) = [8.604, 8.604, 8.604] eV
	6	1	-5.55	1	2.584				\(E_{VAC}\) = 0.0 eV
	5	2	-15.07	0.644177	6.163	0.535576	2.794

Hg	Z = 80		HoffmannHuckelParameters.Mercury_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-13.68	1	2.649				\(U\) = [9, 9, 9] eV
	6	1	-8.47	1	2.631				\(E_{VAC}\) = 0.0 eV
	5	2	-17.5	0.643776	6.436	0.521481	3.032

Tl	Z = 81		HoffmannHuckelParameters.Thallium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-11.6	1	2.3				\(U\) = [9, 9] eV
	6	1	-5.8	1	1.6				\(E_{VAC}\) = 0.0 eV

Pb	Z = 82		HoffmannHuckelParameters.Lead_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-15.7	1	2.35				\(U\) = [9, 9] eV
	6	1	-8	1	2.06				\(E_{VAC}\) = 0.0 eV

Bi	Z = 83		HoffmannHuckelParameters.Bismuth_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-15.19	1	2.56				\(U\) = [9, 9] eV
	6	1	-7.79	1	2.072				\(E_{VAC}\) = 0.0 eV

Th	Z = 90		HoffmannHuckelParameters.Thorium_Basis						\(N_V\) = 0.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	3	-9.64	0.768182	4.477	0.42669	1.837		\(U\) = [9, 9, 9, 9, 9] eV
	7	0	-5.39	1	1.834				\(E_{VAC}\) = 0.0 eV
	7	1	-5.39	1	1.834
	6	2	-10.11	0.761171	2.461	0.407085	1.165
	5	3	-9.64	0.768182	4.477	0.42669	1.837

U	Z = 92		HoffmannHuckelParameters.Uranium_Basis						\(N_V\) = 0.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.5	1	1.914				\(U\) = [9, 9, 9, 9] eV
	7	1	-5.5	1	1.914				\(E_{VAC}\) = 0.0 eV
	6	2	-9.19	0.760793	2.581	0.412596	1.207
	5	3	-10.62	0.784411	4.943	0.390806	2.106

Cerda Hückel basis set parameters

The Cerda Hückel basis set parameters. The unit of \(E^\rm{ion}\) is eV, while the units of \(w_i\) and \(\eta_i\) are Bohr\(^{-3/2}\) and Bohr\(^{-1}\), respectively.

H	Z = 1		MullerHuckelParameters.Hydrogen_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	1	0	-13.606	1	1				\(U\) = [12.848] eV
									\(E_{VAC}\) = 0.0 eV

He	Z = 2		MullerHuckelParameters.Helium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	1	0	-24.979	1	1.618				\(U\) = [9] eV
									\(E_{VAC}\) = 0.0 eV

Li	Z = 3		MullerHuckelParameters.Lithium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-5.342	1	0.645				\(U\) = [3.469, 3.469] eV
	2	1	-3.499	1	0.524				\(E_{VAC}\) = 0.0 eV

Be	Z = 4		MullerHuckelParameters.Beryllium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-8.416	1	0.944				\(U\) = [5.935, 5.935] eV
	2	1	-5.632	1	0.875				\(E_{VAC}\) = 0.0 eV

B	Z = 5		MullerHuckelParameters.Boron_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-13.462	1	1.265				\(U\) = [8, 8] eV
	2	1	-8.432	1	1.134				\(E_{VAC}\) = 0.0 eV

C	Z = 6		MullerHuckelParameters.Carbon_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-19.376	1	1.576				\(U\) = [10.207, 10.207] eV
	2	1	-11.072	1	1.435				\(E_{VAC}\) = 0.0 eV

N	Z = 7		MullerHuckelParameters.Nitrogen_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-26.223	1	1.885				\(U\) = [11.052, 11.052] eV
	2	1	-13.841	1	1.728				\(E_{VAC}\) = 0.0 eV

O	Z = 8		MullerHuckelParameters.Oxygen_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-34.024	1	2.192				\(U\) = [13.625, 13.625] eV
	2	1	-16.768	1	2.018				\(E_{VAC}\) = 0.0 eV

F	Z = 9		MullerHuckelParameters.Fluorine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-42.791	1	2.497				\(U\) = [15.054, 15.054] eV
	2	1	-19.865	1	2.305				\(E_{VAC}\) = 0.0 eV

Ne	Z = 10		MullerHuckelParameters.Neon_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	2	0	-52.529	1	2.802				\(U\) = [9, 9] eV
	2	1	-23.141	1	2.59				\(E_{VAC}\) = 0.0 eV

Na	Z = 11		MullerHuckelParameters.Sodium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-4.955	1	0.832				\(U\) = [2.982, 2.982] eV
	3	1	-2.976	1	0.611				\(E_{VAC}\) = 0.0 eV

Mg	Z = 12		MullerHuckelParameters.Magnesium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-6.886	1	1.076				\(U\) = [4.623, 4.623] eV
	3	1	-4.169	1	0.862				\(E_{VAC}\) = 0.0 eV

Al	Z = 13		MullerHuckelParameters.Aluminium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-10.706	1	1.347				\(U\) = [5.682, 5.682] eV
	3	1	-5.713	1	1.019				\(E_{VAC}\) = 0.0 eV

Si	Z = 14		MullerHuckelParameters.Silicon_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-14.792	1	1.588				\(U\) = [6.964, 6.964] eV
	3	1	-7.585	1	1.256				\(E_{VAC}\) = 0.0 eV

P	Z = 15		MullerHuckelParameters.Phosphorus_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-19.221	1	1.816				\(U\) = [9.878, 9.878] eV
	3	1	-9.539	1	1.478				\(E_{VAC}\) = 0.0 eV

S	Z = 16		MullerHuckelParameters.Sulfur_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-24.019	1	2.035				\(U\) = [9.205, 9.205] eV
	3	1	-11.601	1	1.691				\(E_{VAC}\) = 0.0 eV

Cl	Z = 17		MullerHuckelParameters.Chlorine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-29.196	1	2.25				\(U\) = [10.292, 10.292] eV
	3	1	-13.78	1	1.9				\(E_{VAC}\) = 0.0 eV

Ar	Z = 18		MullerHuckelParameters.Argon_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	3	0	-34.759	1	2.461				\(U\) = [9, 9] eV
	3	1	-16.083	1	2.105				\(E_{VAC}\) = 0.0 eV

K	Z = 19		MullerHuckelParameters.Potassium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-4.013	1	0.858				\(U\) = [3.702, 3.702, 3.702] eV
	4	1	-2.599	1	0.671				\(E_{VAC}\) = 0.0 eV
	3	2	-1.581	1	0.364

Ca	Z = 20		MullerHuckelParameters.Calcium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-5.321	1	1.067				\(U\) = [9, 9, 9] eV
	4	1	-3.573	1	0.893				\(E_{VAC}\) = 0.0 eV
	3	2	-3.337	1	1.906

Sc	Z = 21		MullerHuckelParameters.Scandium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-5.717	1	1.136				\(U\) = [9, 9, 9] eV
	4	1	-3.739	1	0.951				\(E_{VAC}\) = 0.0 eV
	3	2	-9.353	0.4599	3.807	0.701847	1.455

Ti	Z = 22		MullerHuckelParameters.Titanium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-6.039	1	1.195				\(U\) = [9, 9, 9] eV
	4	1	-3.863	1	0.998				\(E_{VAC}\) = 0.0 eV
	3	2	-11.043	0.468935	4.218	0.685904	1.664

V	Z = 23		MullerHuckelParameters.Vanadium_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-6.325	1	1.248				\(U\) = [9, 9, 9] eV
	4	1	-3.963	1	1.041				\(E_{VAC}\) = 0.0 eV
	3	2	-12.549	0.474002	4.6	0.677004	1.846

Cr	Z = 24		MullerHuckelParameters.Chromium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-6.583	1	1.296				\(U\) = [9, 9, 9] eV
	4	1	-4.042	1	1.077				\(E_{VAC}\) = 0.0 eV
	3	2	-13.909	0.474986	4.978	0.67298	2.022

Mn	Z = 25		MullerHuckelParameters.Manganese_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-6.84	1	1.344				\(U\) = [9, 9, 9] eV
	4	1	-4.12	1	1.113				\(E_{VAC}\) = 0.0 eV
	3	2	-15.27	0.480857	5.318	0.665802	2.176

Fe	Z = 26		MullerHuckelParameters.Iron_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-7.079	1	1.388				\(U\) = [9, 9, 9] eV
	4	1	-4.183	1	1.145				\(E_{VAC}\) = 0.0 eV
	3	2	-16.541	0.484872	5.653	0.660825	2.325

Co	Z = 27		MullerHuckelParameters.Cobalt_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-7.309	1	1.431				\(U\) = [9, 9, 9] eV
	4	1	-4.237	1	1.174				\(E_{VAC}\) = 0.0 eV
	3	2	-17.77	0.485886	5.996	0.658846	2.476

Ni	Z = 28		MullerHuckelParameters.Nickel_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-7.532	1	1.473				\(U\) = [9, 9, 9] eV
	4	1	-4.284	1	1.203				\(E_{VAC}\) = 0.0 eV
	3	2	-18.969	0.486001	6.339	0.658001	2.625

Cu	Z = 29		MullerHuckelParameters.Copper_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-7.755	1	1.515				\(U\) = [9, 9, 9] eV
	4	1	-4.331	1	1.232				\(E_{VAC}\) = 0.0 eV
	3	2	-20.188	0.486895	6.676	0.656859	2.768

Zn	Z = 30		MullerHuckelParameters.Zinc_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-7.96	1	1.553				\(U\) = [9, 9, 9] eV
	4	1	-4.361	1	1.251				\(E_{VAC}\) = 0.0 eV
	3	2	-21.294	0.48724	7.015	0.656323	2.911

Ga	Z = 31		MullerHuckelParameters.Gallium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-11.554	1	1.808				\(U\) = [5.936, 5.936] eV
	4	1	-5.674	1	1.314				\(E_{VAC}\) = 0.0 eV

Ge	Z = 32		MullerHuckelParameters.Germanium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-15.158	1	2.024				\(U\) = [6.608, 6.608] eV
	4	1	-7.329	1	1.55				\(E_{VAC}\) = 0.0 eV

As	Z = 33		MullerHuckelParameters.Arsenic_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-18.916	1	2.222				\(U\) = [8.399, 8.399] eV
	4	1	-8.984	1	1.757				\(E_{VAC}\) = 0.0 eV

Se	Z = 34		MullerHuckelParameters.Selenium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-22.862	1	2.409				\(U\) = [9.121, 9.121] eV
	4	1	-10.681	1	1.949				\(E_{VAC}\) = 0.0 eV

Br	Z = 35		MullerHuckelParameters.Bromine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-27.013	1	2.588				\(U\) = [8.823, 8.823] eV
	4	1	-12.438	1	2.131				\(E_{VAC}\) = 0.0 eV

Kr	Z = 36		MullerHuckelParameters.Krypton_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	4	0	-31.373	1	2.762				\(U\) = [9, 9] eV
	4	1	-14.264	1	2.306				\(E_{VAC}\) = 0.0 eV

Rb	Z = 37		MullerHuckelParameters.Rubidium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-3.752	1	0.977				\(U\) = [2.495, 2.495, 2.495] eV
	5	1	-2.452	1	0.774				\(E_{VAC}\) = 0.0 eV
	4	2	-1.636	1	0.523

Sr	Z = 38		MullerHuckelParameters.Strontium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-4.856	1	1.187				\(U\) = [9, 9, 9] eV
	5	1	-3.299	1	1				\(E_{VAC}\) = 0.0 eV
	4	2	-3.179	1	1.694

Y	Z = 39		MullerHuckelParameters.Yttrium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-5.337	1	1.279				\(U\) = [9, 9, 9] eV
	5	1	-3.515	1	1.079				\(E_{VAC}\) = 0.0 eV
	4	2	-6.799	0.601963	2.554	0.577964	1.068

Zr	Z = 40		MullerHuckelParameters.Zirconium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-5.735	1	1.36				\(U\) = [9, 9, 9] eV
	5	1	-3.694	1	1.151				\(E_{VAC}\) = 0.0 eV
	4	2	-8.461	0.650366	2.769	0.508286	1.224

Nb	Z = 41		MullerHuckelParameters.Niobium_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-5.923	1	1.403				\(U\) = [9, 9, 9] eV
	5	1	-3.757	1	1.186				\(E_{VAC}\) = 0.0 eV
	4	2	-10.001	0.685854	2.955	0.461902	1.333

Mo	Z = 42		MullerHuckelParameters.Molybdenum_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-6.112	1	1.446				\(U\) = [9, 9, 9] eV
	5	1	-3.819	1	1.221				\(E_{VAC}\) = 0.0 eV
	4	2	-11.541	0.71711	3.126	0.426065	1.408

Tc	Z = 43		MullerHuckelParameters.Technetium_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-6.3	1	1.49				\(U\) = [9, 9, 9] eV
	5	1	-3.882	1	1.256				\(E_{VAC}\) = 0.0 eV
	4	2	-13.08	0.742534	3.293	0.39875	1.468

Ru	Z = 44		MullerHuckelParameters.Ruthenium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-6.488	1	1.533				\(U\) = [9, 9, 9] eV
	5	1	-3.945	1	1.291				\(E_{VAC}\) = 0.0 eV
	4	2	-14.62	0.779822	3.429	0.367916	1.453

Rh	Z = 45		MullerHuckelParameters.Rhodium_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-6.677	1	1.576				\(U\) = [9, 9, 9] eV
	5	1	-4.008	1	1.326				\(E_{VAC}\) = 0.0 eV
	4	2	-16.16	0.80486	3.577	0.347939	1.452

Pd	Z = 46		MullerHuckelParameters.Palladium_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-6.865	1	1.619				\(U\) = [9, 9, 9] eV
	5	1	-4.07	1	1.362				\(E_{VAC}\) = 0.0 eV
	4	2	-17.7	0.814894	3.746	0.337956	1.501

Ag	Z = 47		MullerHuckelParameters.Silver_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-7.054	1	1.662				\(U\) = [9, 9, 9] eV
	5	1	-4.133	1	1.397				\(E_{VAC}\) = 0.0 eV
	4	2	-19.24	0.824441	3.912	0.328777	1.545

Cd	Z = 48		MullerHuckelParameters.Cadmium_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-7.242	1	1.706				\(U\) = [9, 9, 9] eV
	5	1	-4.196	1	1.432				\(E_{VAC}\) = 0.0 eV
	4	2	-20.78	0.823957	4.094	0.324983	1.64

In	Z = 49		MullerHuckelParameters.Indium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-10.141	1	1.934				\(U\) = [5.53, 5.53] eV
	5	1	-5.368	1	1.456				\(E_{VAC}\) = 0.0 eV

Sn	Z = 50		MullerHuckelParameters.Tin_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-13.043	1	2.129				\(U\) = [4.297, 4.297] eV
	5	1	-6.764	1	1.674				\(E_{VAC}\) = 0.0 eV

Sb	Z = 51		MullerHuckelParameters.Antimony_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-16.026	1	2.305				\(U\) = [7.657, 7.657] eV
	5	1	-8.143	1	1.863				\(E_{VAC}\) = 0.0 eV

Te	Z = 52		MullerHuckelParameters.Tellurium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-19.122	1	2.47				\(U\) = [8.985, 8.985] eV
	5	1	-9.54	1	2.036				\(E_{VAC}\) = 0.0 eV

I	Z = 53		MullerHuckelParameters.Iodine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-22.344	1	2.626				\(U\) = [9.448, 9.448] eV
	5	1	-10.971	1	2.198				\(E_{VAC}\) = 0.0 eV

Xe	Z = 54		MullerHuckelParameters.Xenon_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	5	0	-25.699	1	2.776				\(U\) = [9, 9] eV
	5	1	-12.444	1	2.352				\(E_{VAC}\) = 0.0 eV

Cs	Z = 55		MullerHuckelParameters.Caesium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-3.365	1	1.031				\(U\) = [9, 9, 9] eV
	6	1	-2.286	1	0.845				\(E_{VAC}\) = 0.0 eV
	5	2	-1.844	1	0.906

Ba	Z = 56		MullerHuckelParameters.Barium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.287	1	1.236				\(U\) = [9, 9, 9] eV
	6	1	-3.063	1	1.071				\(E_{VAC}\) = 0.0 eV
	5	2	-4.143	1	1.96

La	Z = 57		MullerHuckelParameters.Lanthanum_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.637	1	1.318				\(U\) = [9, 9, 9] eV
	6	1	-3.233	1	1.142				\(E_{VAC}\) = 0.0 eV
	5	2	-7.316	0.593989	3.153	0.611989	1.338

Ce	Z = 58		MullerHuckelParameters.Cerium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.697	1	1.335				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.261	1	1.157				\(E_{VAC}\) = 0.0 eV
	5	2	-7.359	1	2.027
	4	3	-11.95	1	4.22

Pr	Z = 59		MullerHuckelParameters.Praseodymium_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.466	1	1.288				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.29	1	1.127				\(E_{VAC}\) = 0.0 eV
	5	2	-7.376	1	2.055
	4	3	-12.94	1	4.415

Nd	Z = 60		MullerHuckelParameters.Neodymium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.518	1	1.303				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.318	1	1.187				\(E_{VAC}\) = 0.0 eV
	5	2	-7.373	1	2.08
	4	3	-13.892	1	4.619

Pm	Z = 61		MullerHuckelParameters.Promethium_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.586	1	1.317				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.346	1	1.201				\(E_{VAC}\) = 0.0 eV
	5	2	-7.353	1	2.103
	4	3	-14.901	1	4.81

Sm	Z = 62		MullerHuckelParameters.Samarium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.616	1	1.331				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.375	1	1.216				\(E_{VAC}\) = 0.0 eV
	5	2	-7.32	1	2.122
	4	3	-15.719	1	4.991

Eu	Z = 63		MullerHuckelParameters.Europium_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.663	1	1.345				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.403	1	1.231				\(E_{VAC}\) = 0.0 eV
	5	2	-7.276	1	2.14
	4	3	-16.451	1	5.165

Gd	Z = 64		MullerHuckelParameters.Gadolinium_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-5.033	1	1.427				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.431	1	1.246				\(E_{VAC}\) = 0.0 eV
	5	2	-7.22	1	2.155
	4	3	-17.079	1	5.33

Tb	Z = 65		MullerHuckelParameters.Terbium_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.753	1	1.371				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.46	1	1.261				\(E_{VAC}\) = 0.0 eV
	5	2	-7.156	1	2.169
	4	3	-17.707	1	5.495

Dy	Z = 66		MullerHuckelParameters.Dysprosium_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.797	1	1.383				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.488	1	1.276				\(E_{VAC}\) = 0.0 eV
	5	2	-7.084	1	2.181
	4	3	-18.246	1	5.654

Ho	Z = 67		MullerHuckelParameters.Holmium_Basis						\(N_V\) = 13.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.84	1	1.396				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.516	1	1.291				\(E_{VAC}\) = 0.0 eV
	5	2	-7.004	1	2.19
	4	3	-18.733	1	5.808

Er	Z = 68		MullerHuckelParameters.Erbium_Basis						\(N_V\) = 14.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.882	1	1.408				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.545	1	1.306				\(E_{VAC}\) = 0.0 eV
	5	2	-6.917	1	2.199
	4	3	-19.174	1	5.96

Tm	Z = 69		MullerHuckelParameters.Thulium_Basis						\(N_V\) = 15.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.924	1	1.42				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.573	1	1.32				\(E_{VAC}\) = 0.0 eV
	5	2	-6.824	1	2.205
	4	3	-19.571	1	6.109

Yb	Z = 70		MullerHuckelParameters.Ytterbium_Basis						\(N_V\) = 16.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-4.965	1	1.432				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.601	1	1.335				\(E_{VAC}\) = 0.0 eV
	5	2	-6.726	1	2.21
	4	3	-19.929	1	6.256

Lu	Z = 71		MullerHuckelParameters.Lutetium_Basis						\(N_V\) = 17.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-5.411	1	1.526				\(U\) = [9, 9, 9, 9] eV
	6	1	-3.63	1	1.35				\(E_{VAC}\) = 0.0 eV
	5	2	-6.622	1	2.213
	4	3	-20.313	1	6.404

Hf	Z = 72		MullerHuckelParameters.Hafnium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-5.725	1	1.598				\(U\) = [9, 9, 9] eV
	6	1	-3.658	1	1.365				\(E_{VAC}\) = 0.0 eV
	5	2	-8.141	0.636594	3.337	0.545652	1.505

Ta	Z = 73		MullerHuckelParameters.Tantalum_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-5.979	1	1.658				\(U\) = [9, 9, 9] eV
	6	1	-3.757	1	1.417				\(E_{VAC}\) = 0.0 eV
	5	2	-9.569	0.673894	3.478	0.495922	1.606

W	Z = 74		MullerHuckelParameters.Tungsten_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-6.196	1	1.711				\(U\) = [9, 9, 9] eV
	6	1	-3.836	1	1.463				\(E_{VAC}\) = 0.0 eV
	5	2	-10.963	0.705262	3.609	0.456169	1.683

Re	Z = 75		MullerHuckelParameters.Rhenium_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-6.386	1	1.76				\(U\) = [9, 9, 9] eV
	6	1	-3.902	1	1.503				\(E_{VAC}\) = 0.0 eV
	5	2	-12.348	0.732016	3.734	0.424009	1.742

Os	Z = 76		MullerHuckelParameters.Osmium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-6.556	1	1.804				\(U\) = [9, 9, 9] eV
	6	1	-3.958	1	1.54				\(E_{VAC}\) = 0.0 eV
	5	2	-13.737	0.757831	3.851	0.394912	1.782

Ir	Z = 77		MullerHuckelParameters.Iridium_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-6.71	1	1.845				\(U\) = [9, 9, 9] eV
	6	1	-4.006	1	1.574				\(E_{VAC}\) = 0.0 eV
	5	2	-15.136	0.779917	3.968	0.37096	1.813

Pt	Z = 78		MullerHuckelParameters.Platinum_Basis						\(N_V\) = 10.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-6.875	1	1.888				\(U\) = [8.604, 8.604, 8.604] eV
	6	1	-4.034	1	1.593				\(E_{VAC}\) = 0.0 eV
	5	2	-16.528	0.79785	4.084	0.351934	1.84

Au	Z = 79		MullerHuckelParameters.Gold_Basis						\(N_V\) = 11.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-7.037	1	1.931				\(U\) = [8.604, 8.604, 8.604] eV
	6	1	-4.068	1	1.615				\(E_{VAC}\) = 0.0 eV
	5	2	-17.922	0.813667	4.2	0.335863	1.861

Hg	Z = 80		MullerHuckelParameters.Mercury_Basis						\(N_V\) = 12.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-7.104	1	1.953				\(U\) = [9, 9, 9] eV
	6	1	-4.117	1	1.66				\(E_{VAC}\) = 0.0 eV
	5	2	-19.434	0.809955	4.353	0.331981	1.979

Tl	Z = 81		MullerHuckelParameters.Thallium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-9.827	1	2.191				\(U\) = [9, 9] eV
	6	1	-5.235	1	1.656				\(E_{VAC}\) = 0.0 eV

Pb	Z = 82		MullerHuckelParameters.Lead_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-12.486	1	2.386				\(U\) = [9, 9] eV
	6	1	-6.527	1	1.88				\(E_{VAC}\) = 0.0 eV

Bi	Z = 83		MullerHuckelParameters.Bismuth_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-15.189	1	2.56				\(U\) = [9, 9] eV
	6	1	-7.788	1	2.072				\(E_{VAC}\) = 0.0 eV

Po	Z = 84		MullerHuckelParameters.Polonium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-17.965	1	2.72				\(U\) = [9, 9] eV
	6	1	-9.053	1	2.245				\(E_{VAC}\) = 0.0 eV

At	Z = 85		MullerHuckelParameters.Astatine_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-20.827	1	2.87				\(U\) = [9, 9] eV
	6	1	-10.337	1	2.45				\(E_{VAC}\) = 0.0 eV

Rn	Z = 86		MullerHuckelParameters.Radon_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	6	0	-23.783	1	3.014				\(U\) = [9, 9] eV
	6	1	-11.647	1	2.556				\(E_{VAC}\) = 0.0 eV

Fr	Z = 87		MullerHuckelParameters.Francium_Basis						\(N_V\) = 1.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-3.209	1	1.131				\(U\) = [9, 9, 9] eV
	7	1	-2.205	1	0.939				\(E_{VAC}\) = 0.0 eV
	6	2	-1.931	1	1.258

Ra	Z = 88		MullerHuckelParameters.Radium_Basis						\(N_V\) = 2.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-4.048	1	1.346				\(U\) = [9, 9, 9] eV
	7	1	-2.934	1	1.177				\(E_{VAC}\) = 0.0 eV
	6	2	-4.108	1	2.113

Ac	Z = 89		MullerHuckelParameters.Actinium_Basis						\(N_V\) = 3.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-4.381	1	1.433				\(U\) = [9, 9, 9] eV
	7	1	-3.098	1	1.253				\(E_{VAC}\) = 0.0 eV
	6	2	-6.843	1	2.12

Th	Z = 90		MullerHuckelParameters.Thorium_Basis						\(N_V\) = 4.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.31	1	1.742				\(U\) = [9, 9, 9, 9] eV
	7	1	-3.345	1	1.256				\(E_{VAC}\) = 0.0 eV
	6	2	-4.98	0.624003	2.811	0.503002	1.554
	5	3	-6.03	0.58187	5.475	0.547877	2.863

Pa	Z = 91		MullerHuckelParameters.Protactinium_Basis						\(N_V\) = 5.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.41	1	1.699				\(U\) = [9, 9, 9, 9] eV
	7	1	-3.375	1	1.286				\(E_{VAC}\) = 0.0 eV
	6	2	-5.07	0.617317	2.894	0.511263	1.595
	5	3	-7.63	0.594817	5.659	0.530836	2.991

U	Z = 92		MullerHuckelParameters.Uranium_Basis						\(N_V\) = 6.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.51	1	1.728				\(U\) = [9, 9, 9, 9] eV
	7	1	-3.406	1	1.315				\(E_{VAC}\) = 0.0 eV
	6	2	-5.1	0.622063	2.944	0.509052	1.611
	5	3	-9.045	0.592502	5.885	0.530449	3.135

Np	Z = 93		MullerHuckelParameters.Neptunium_Basis						\(N_V\) = 7.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.61	1	1.756				\(U\) = [9, 9, 9, 9] eV
	7	1	-3.436	1	1.345				\(E_{VAC}\) = 0.0 eV
	6	2	-5.095	0.615803	3.017	0.516835	1.646
	5	3	-10.35	0.519698	3.254	0.600651	6.068

Pu	Z = 94		MullerHuckelParameters.Plutonium_Basis						\(N_V\) = 8.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.71	1	1.681				\(U\) = [9, 9, 9, 9] eV
	7	1	-3.467	1	1.375				\(E_{VAC}\) = 0.0 eV
	6	2	-5.06	0.609204	3.085	0.525176	1.677
	5	3	-11.585	0.509646	3.364	0.608577	6.241

Am	Z = 95		MullerHuckelParameters.Americium_Basis						\(N_V\) = 9.0
	n	l	\(E_{ion}\)	\(W_1\)	\(\eta_1\)	\(W_2\)	\(\eta_2\)		\(\beta\) = 1.75
	7	0	-5.8	1	1.704				\(U\) = [9, 9, 9, 9] eV
	7	1	-3.497	1	1.405				\(E_{VAC}\) = 0.0 eV
	6	2	-5.01	0.596362	3.169	0.539327	1.719
	5	3	-12.75	0.496199	3.457	0.620249	6.392