Ready-to-use pseudopotentials fromPSlibrary(recommended). For other ready-to-use tables, follow the links of the menu at the left. For more info, seehere.
Please cite the pseudopotentials used and give proper credit to their authors (seethis pagefor a rather complete list of acknowledgments).
1 H |
2 He |
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3 Li |
4 Be |
5 B |
6 C |
7 N |
8 O |
9 F |
10 Ne |
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11 Na |
12 Mg |
13 Al |
14 Si |
15 P |
16 S |
17 Cl |
18 Ar |
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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 |
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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 |
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55 Cs |
56 Ba |
57-70 * |
71 Lu |
72 Hf |
73 Ta |
74 W |
75 Re |
76 操作系统 |
77 Ir |
78 Pt |
79 Au |
80 Hg |
81 Tl |
82 Pb |
83 Bi |
84 Po |
85 At |
86 Rn |
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87 Fr |
88 Ra |
89-102 ** |
103 Lr |
104 Rf |
105 Db |
106 Sg |
107 Bh |
108 Hs |
109 Mt |
* Lanthanoids |
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 |
** Actinoids |
89 Ac |
90 Th |
91 巴勒斯坦权力机构 |
92 U |
93 Np |
94 Pu |
95 Am |
96 Cm |
97 Bk |
98 Cf |
99 Es |
100 Fm |
101 Md |
102 No |
Elements for which at least a pseudopotential is available will appear in red in the periodic table. Click on the element entry and follow the link to access the pseudopotentials and a minimal description of their characteristics.
Important Note: although most of these pseudopotentials were published or used with satisfactory results in published work, we cannot give any warranty whatsoever that they fit your actual needs.
(last updated September 30, 2020)