# Basis Set Database

This page contains user-contributed basis-set information for selected elements.

Each element link points to the contents of a subdirectory, in which typically there is information about one or more flavors of the basis set appropiate for that element, as generated in a particular (ideally documented) context. We are working to standardize as much as possible the presentation of the basis set information.

Use at your own risk. The Siesta team is not responsible for the suitability of any basis set or pseudopotential for your particular problem.

Group | 1 | 2 |  | 3 | 4 | 5 | 6 | 7 | 8 | 9 | 10 | 11 | 12 | 13 | 14 | 15 | 16 | 17 | 18
Period
1 | 1 H |  | 2 He
2 | 3 Li | 4 Be |  | 5 B | 6 C | 7 N | 8 O | 9 F | 10 Ne
3 | 11 Na | 12 Mg |  | 13 Al | 14 Si | 15 P | 16 S | 17 Cl | 18 Ar
4 | 19 K | 20 Ca |  | 21 Sc | 22 Ti | 23 V | 24 Cr | 25 Mn | 26 Fe | 27 Co | 28 Ni | 29 Cu | 30 Zn | 31 Ga | 32 Ge | 33 As | 34 Se | 35 Br | 36 Kr
5 | 37 Rb | 38 Sr |  | 39 Y | 40 Zr | 41 Nb | 42 Mo | 43 Tc | 44 Ru | 45 Rh | 46 Pd | 47 Ag | 48 Cd | 49 In | 50 Sn | 51 Sb | 52 Te | 53 I | 54 Xe
6 | 55 Cs | 56 Ba | 57-70 * | 71 Lu | 72 Hf | 73 Ta | 74 W | 75 Re | 76 Os | 77 Ir | 78 Pt | 79 Au | 80 Hg | 81 Tl | 82 Pb | 83 Bi | 84 Po | 85 At | 86 Rn
7 | 87 Fr | 88 Ra | 89-102 ** | 103 Lr | 104 Rf | 105 Db | 106 Sg | 107 Bh | 108 Hs | 109 Mt | 110 Uun | 111 Uuu | 112 Uub | 113 UUt | 114 Uuq | 115 Uup | 116 Uuh | 117 Uus | 118 Uuo
Lanthanides |  | 57 La | 58 Ce | 59 Pr | 60 Nd | 61 Pm | 62 Sm | 63 Eu | 64 Gd | 65 Tb | 66 Dy | 67 Ho | 68 Er | 69 Tm | 70 Yb
Actinides |  | 89 Ac | 90 Th | 91 Pa | 92 U | 93 Np | 94 Pu | 95 Am | 96 Cm | 97 Bk | 98 Cf | 99 Es | 100 Fm | 101 Md | 102 No