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Welcome to cp2k-basis!

This website provide an equivalent to the famous basis set exchange for the basis sets and GTH pseudopotentials used in the CP2K program. Data are obtained from the CP2K data folder (see here). For other kind of basis sets and potentials, please go to the BSE.

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

Basis set

Pseudopotential

Input file