ExpandList of PBE potentials
|
Potential name |
Number of valence electrons |
Valence electron configuration |
ENAMX [eV]
|
H |
1 |
|
250.0
|
H.25 |
0.25 |
|
250.0
|
H.33 |
0.33 |
|
250.0
|
H.42 |
0.42 |
|
250.0
|
H.5 |
0.5 |
|
250.0
|
H.58 |
0.58 |
|
250.0
|
H.66 |
0.66 |
|
250.0
|
H.75 |
0.75 |
|
250.0
|
H1.25 |
1.25 |
|
250.0
|
H1.33 |
1.33 |
|
250.0
|
H1.5 |
1.5 |
|
250.0
|
H1.66 |
1.66 |
|
250.0
|
H1.75 |
1.75 |
|
250.0
|
H_AE |
1 |
|
1000.0
|
H_h |
1 |
|
700.0
|
H_s |
1 |
|
200.0
|
He |
2 |
|
478.896
|
He_AE |
2 |
|
2135.871
|
Li |
1 |
|
140.0
|
Li_sv |
3 |
|
499.034
|
Be |
2 |
|
247.543
|
Be_sv |
4 |
|
308.768
|
B |
3 |
|
318.614
|
B_h |
3 |
|
700.0
|
B_s |
3 |
|
269.245
|
C |
4 |
|
400.0
|
C_h |
4 |
|
741.689
|
C_s |
4 |
|
273.911
|
N |
5 |
|
400.0
|
N_h |
5 |
|
755.582
|
N_s |
5 |
|
279.692
|
O |
6 |
|
400.0
|
O_h |
6 |
|
765.519
|
O_s |
6 |
|
282.853
|
F |
7 |
|
400.0
|
F_h |
7 |
|
772.626
|
F_s |
7 |
|
289.837
|
Ne |
8 |
|
343.606
|
Na |
1 |
|
101.968
|
Na_pv |
7 |
|
259.561
|
Na_sv |
9 |
|
645.64
|
Mg |
2 |
|
200.0
|
Mg_pv |
8 |
|
403.929
|
Mg_sv |
10 |
|
495.223
|
Al |
3 |
|
240.3
|
Si |
4 |
|
245.345
|
P |
5 |
|
255.04
|
P_h |
5 |
|
390.202
|
S |
6 |
|
258.689
|
S_h |
6 |
|
402.436
|
Cl |
7 |
|
262.472
|
Cl_h |
7 |
|
409.136
|
Ar |
8 |
|
266.408
|
K_pv |
7 |
|
116.731
|
K_sv |
9 |
|
259.264
|
Ca_pv |
8 |
|
119.559
|
Ca_sv |
10 |
|
266.622
|
Sc |
3 |
|
154.763
|
Sc_sv |
11 |
|
222.66
|
Ti |
4 |
|
178.33
|
Ti_pv |
10 |
|
222.335
|
Ti_sv |
12 |
|
274.61
|
V |
5 |
|
192.543
|
V_pv |
11 |
|
263.673
|
V_sv |
13 |
|
263.673
|
Cr |
6 |
|
227.08
|
Cr_pv |
12 |
|
265.681
|
Cr_sv |
14 |
|
395.471
|
Mn |
7 |
|
269.864
|
Mn_pv |
13 |
|
269.864
|
Mn_sv |
15 |
|
387.187
|
Fe |
8 |
|
267.882
|
Fe_pv |
14 |
|
293.238
|
Fe_sv |
16 |
|
390.558
|
Co |
9 |
|
267.968
|
Co_pv |
15 |
|
271.042
|
Co_sv |
17 |
|
390.362
|
Ni |
10 |
|
269.532
|
Ni_pv |
16 |
|
367.986
|
Cu |
11 |
|
295.446
|
Cu_pv |
17 |
|
368.648
|
Zn |
12 |
|
276.723
|
Ga |
3 |
|
134.678
|
Ga_d |
13 |
|
282.691
|
Ga_h |
13 |
|
404.601
|
Ge |
4 |
|
173.807
|
Ge_d |
14 |
|
310.294
|
Ge_h |
14 |
|
410.425
|
As |
5 |
|
208.702
|
As_d |
15 |
|
288.651
|
Se |
6 |
|
211.555
|
Br |
7 |
|
216.285
|
Kr |
8 |
|
185.331
|
Rb_pv |
7 |
|
121.882
|
Rb_sv |
9 |
|
220.112
|
Sr_sv |
10 |
|
229.353
|
Y_sv |
11 |
|
202.626
|
Zr_sv |
12 |
|
229.898
|
Nb_pv |
11 |
|
208.608
|
Nb_sv |
13 |
|
293.235
|
Mo |
6 |
|
224.584
|
Mo_pv |
12 |
|
224.584
|
Mo_sv |
14 |
|
242.676
|
Tc |
7 |
|
228.694
|
Tc_pv |
13 |
|
263.523
|
Tc_sv |
15 |
|
318.703
|
Ru |
8 |
|
213.271
|
Ru_pv |
14 |
|
240.049
|
Ru_sv |
16 |
|
318.855
|
Rh |
9 |
|
228.996
|
Rh_pv |
15 |
|
247.408
|
Pd |
10 |
|
250.925
|
Pd_pv |
16 |
|
250.925
|
Ag |
11 |
|
249.844
|
Ag_pv |
17 |
|
297.865
|
Cd |
12 |
|
274.336
|
In |
3 |
|
95.934
|
In_d |
13 |
|
239.211
|
Sn |
4 |
|
103.236
|
Sn_d |
14 |
|
241.083
|
Sb |
5 |
|
172.069
|
Te |
6 |
|
174.982
|
I |
7 |
|
175.647
|
Xe |
8 |
|
153.118
|
Cs_sv |
9 |
|
220.318
|
Ba_sv |
10 |
|
187.181
|
La |
11 |
|
219.292
|
La_s |
9 |
|
136.53
|
Ce |
12 |
|
273.042
|
Ce_3 |
11 |
|
176.506
|
Ce_h |
12 |
|
299.9
|
Pr |
13 |
|
337.25
|
Pr_3 |
11 |
|
181.719
|
Pr_h |
13 |
|
400.742
|
Nd |
14 |
|
338.34
|
Nd_3 |
11 |
|
182.619
|
Nd_h |
14 |
|
402.016
|
Pm |
15 |
|
340.358
|
Pm_3 |
11 |
|
176.959
|
Pm_h |
15 |
|
404.406
|
Sm |
16 |
|
341.177
|
Sm_3 |
11 |
|
177.087
|
Sm_h |
16 |
|
405.382
|
Eu |
17 |
|
344.705
|
Eu_2 |
8 |
|
99.328
|
Eu_3 |
9 |
|
129.057
|
Eu_h |
17 |
|
403.212
|
Gd |
18 |
|
342.859
|
Gd_3 |
9 |
|
154.332
|
Gd_h |
18 |
|
407.403
|
Tb |
19 |
|
340.855
|
Tb_3 |
9 |
|
155.613
|
Tb_h |
19 |
|
405.043
|
Dy |
20 |
|
341.547
|
Dy_3 |
9 |
|
155.713
|
Dy_h |
20 |
|
405.886
|
Ho |
21 |
|
343.845
|
Ho_3 |
9 |
|
154.137
|
Ho_h |
21 |
|
415.91
|
Er |
22 |
|
346.295
|
Er_2 |
8 |
|
119.75
|
Er_3 |
9 |
|
155.037
|
Er_h |
22 |
|
429.583
|
Tm |
23 |
|
344.206
|
Tm_3 |
9 |
|
149.221
|
Tm_h |
23 |
|
419.812
|
Yb |
24 |
|
344.312
|
Yb_2 |
8 |
|
112.578
|
Yb_3 |
9 |
|
188.359
|
Yb_h |
24 |
|
409.285
|
Lu |
25 |
|
255.695
|
Lu_3 |
9 |
|
154.992
|
Hf |
4 |
|
220.334
|
Hf_pv |
10 |
|
220.334
|
Hf_sv |
12 |
|
237.444
|
Ta |
5 |
|
223.667
|
Ta_pv |
11 |
|
223.667
|
W |
6 |
|
223.057
|
W_sv |
14 |
|
223.057
|
Re |
7 |
|
226.216
|
Re_pv |
13 |
|
226.216
|
Os |
8 |
|
228.022
|
Os_pv |
14 |
|
228.022
|
Ir |
9 |
|
210.864
|
Pt |
10 |
|
230.283
|
Pt_pv |
16 |
|
294.607
|
Au |
11 |
|
229.943
|
Hg |
12 |
|
233.204
|
Tl |
3 |
|
90.14
|
Tl_d |
13 |
|
237.053
|
Pb |
4 |
|
97.973
|
Pb_d |
14 |
|
237.835
|
Bi |
5 |
|
105.037
|
Bi_d |
15 |
|
242.839
|
Po |
6 |
|
159.707
|
Po_d |
16 |
|
264.565
|
At |
7 |
|
161.43
|
Rn |
8 |
|
151.497
|
Fr_sv |
9 |
|
214.54
|
Ra_sv |
10 |
|
237.367
|
Ac |
11 |
|
172.351
|
Th |
12 |
|
247.306
|
Th_s |
10 |
|
169.363
|
Pa |
13 |
|
252.193
|
Pa_s |
11 |
|
193.466
|
U |
14 |
|
252.502
|
U_s |
14 |
|
209.23
|
Np |
15 |
|
254.26
|
Np_s |
15 |
|
207.713
|
Pu |
16 |
|
254.353
|
Pu_s |
16 |
|
207.83
|
Am |
17 |
|
255.875
|
Cm |
18 |
|
257.953
|
Cf |
20 |
|
414.614
|