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Paul Scherrer Institut PSI Personal Homepage of Matthias Krack
NES LRS OHSA/D07 Email Phone  +41 (0)56 310 5856 FAX   +41 (0)56 310 2327



Updated:
18.10.2011
E-Mail: matthias.krack@psi.ch


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Goedecker-Teter-Hutter (GTH) pseudopotentials

Select an element from the periodic table below to update the pseudopotential file list and click on a file name.

1
H
2
He
3
Li
4
Be
5
B
6
C
7
N
8
O
9
F
10
Ne
11
Na
12
Mg
13
Al
14
Si
15
P
16
S
17
Cl
18
Ar
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
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
55
Cs
56
Ba
57
La
[Ln] 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
87
Fr
88
Ra
89
Ac
[An] 104
Rf
105
Db
106
Sg
107
Bh
108
Hs
109
Mt
110
Ds
111
Rg
112
Cn
113
Uut
114
Uuq
115
Uup
116
Uuh
117
Uus
118
Uuo
Ln: 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
71
Lu
An: 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
103
Lr

Related links:

References


Disclaimer: The author does not give any warranty for the correctness or quality of the provided pseudopotentials.