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quantum_package/data/BFD-Pseudo.dump
Yann Garniron 9bb0c90a40 merged
2016-01-25 16:11:26 +01:00

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PRAGMA foreign_keys=OFF;
BEGIN TRANSACTION;
CREATE TABLE basis_tab(
basis_id INTEGER PRIMARY KEY AUTOINCREMENT,
name text,
description text,
UNIQUE(name)
);
INSERT INTO "basis_tab" VALUES(1,'BFD-Pseudo','http://ftp.aip.org/epaps/journ_chem_phys/E-JCPSA6-126-315722/epaps_material.html');
CREATE TABLE data_tab(
basis_id INTEGER,
elt TEXT,
data TEXT,
FOREIGN KEY(basis_id)
REFERENCES basis_tab(basis_id)
);
INSERT INTO "data_tab" VALUES(1,'H','Element Symbol: H
Number of replaced protons: 0
Number of projectors: 0
Pseudopotential data:
Local component:
Coeff. r^n Exp.
1.00000000 -1 4.47692410
4.47692410 1 2.97636451
-4.32112340 0 3.01841596
Non-local component:
Coeff. r^n Exp. Proj.');
INSERT INTO "data_tab" VALUES(1,'He','Element Symbol: He
Number of replaced protons: 0
Number of projectors: 0
Pseudopotential data:
Local component:
Coeff. r^n Exp.
2.00000000 -1 9.84368811
19.68737622 1 10.94516233
-17.20570338 0 12.03715264
Non-local component:
Coeff. r^n Exp. Proj.');
INSERT INTO "data_tab" VALUES(1,'Li','Element Symbol: Li
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
1.00000000 -1 5.41040609
5.41040609 1 2.70520138
-4.60151975 0 2.07005488
Non-local component:
Coeff. r^n Exp. Proj.
7.09172172 0 1.34319829 |0><0|');
INSERT INTO "data_tab" VALUES(1,'Be','Element Symbol: Be
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
2.00000000 -1 4.58686001
9.17372003 1 2.29371778
-8.12599146 0 2.10401964
Non-local component:
Coeff. r^n Exp. Proj.
14.90499810 0 2.71723988 |0><0|');
INSERT INTO "data_tab" VALUES(1,'B','Element Symbol: B
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
3.00000000 -1 5.40423964
16.21271892 1 5.71678458
-11.86640633 0 4.48974455
Non-local component:
Coeff. r^n Exp. Proj.
15.49737620 0 3.43781634 |0><0|');
INSERT INTO "data_tab" VALUES(1,'C','Element Symbol: C
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
4.00000000 -1 8.35973821
33.43895285 1 4.48361888
-19.17537323 0 3.93831258
Non-local component:
Coeff. r^n Exp. Proj.
22.55164191 0 5.02991637 |0><0|');
INSERT INTO "data_tab" VALUES(1,'N','Element Symbol: N
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
5.00000000 -1 9.23501007
46.17505034 1 7.66830008
-30.18893534 0 7.34486070
Non-local component:
Coeff. r^n Exp. Proj.
31.69720409 0 6.99536540 |0><0|');
INSERT INTO "data_tab" VALUES(1,'O','Element Symbol: O
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
6.00000000 -1 9.29793903
55.78763416 1 8.86492204
-38.81978498 0 8.62925665
Non-local component:
Coeff. r^n Exp. Proj.
38.41914135 0 8.71924452 |0><0|');
INSERT INTO "data_tab" VALUES(1,'F','Element Symbol: F
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
7.00000000 -1 11.39210685
79.74474797 1 10.74911370
-49.45159098 0 10.45120693
Non-local component:
Coeff. r^n Exp. Proj.
50.25646328 0 11.30345826 |0><0|');
INSERT INTO "data_tab" VALUES(1,'Ne','Element Symbol: Ne
Number of replaced protons: 2
Number of projectors: 1
Pseudopotential data:
Local component:
Coeff. r^n Exp.
8.00000000 -1 10.74945199
85.99561593 1 10.19801460
-56.79004456 0 10.18694048
Non-local component:
Coeff. r^n Exp. Proj.
55.11144535 0 12.85042963 |0><0|');
INSERT INTO "data_tab" VALUES(1,'Na','Element Symbol: Na
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
1.00000000 -1 5.35838717
5.35838717 1 3.67918975
-2.07764789 0 1.60507673
Non-local component:
Coeff. r^n Exp. Proj.
10.69640234 0 1.32389367 |0><0|
10.11238853 0 1.14052020 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Mg','Element Symbol: Mg
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
2.00000000 -1 4.48537898
8.97075796 1 2.24268949
-7.72153408 0 1.59710474
Non-local component:
Coeff. r^n Exp. Proj.
15.07848048 0 1.57188656 |0><0|
12.37888383 0 1.42757357 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Al','Element Symbol: Al
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
3.00000000 -1 3.07301275
9.21903825 1 9.97055633
-9.65888637 0 2.64134660
Non-local component:
Coeff. r^n Exp. Proj.
17.16680112 0 1.87284747 |0><0|
14.22120694 0 1.79397208 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Si','Element Symbol: Si
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
4.00000000 -1 1.80721061
7.22884246 1 9.99633089
-13.06725590 0 2.50043232
Non-local component:
Coeff. r^n Exp. Proj.
21.20531613 0 2.26686403 |0><0|
15.43693603 0 2.11659661 |1><1|');
INSERT INTO "data_tab" VALUES(1,'P','Element Symbol: P
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
5.00000000 -1 2.02622810
10.13114051 1 9.95970113
-14.94375088 0 2.74841795
Non-local component:
Coeff. r^n Exp. Proj.
23.62479480 0 2.60470698 |0><0|
18.18547203 0 2.54957900 |1><1|');
INSERT INTO "data_tab" VALUES(1,'S','Element Symbol: S
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
6.00000000 -1 2.42178462
14.53070769 1 6.74148698
-17.52965289 0 3.06094751
Non-local component:
Coeff. r^n Exp. Proj.
25.99260928 0 2.94272173 |0><0|
18.93356489 0 2.84566981 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Cl','Element Symbol: Cl
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
7.00000000 -1 2.41079533
16.87556731 1 5.29139158
-18.80917558 0 2.91105513
Non-local component:
Coeff. r^n Exp. Proj.
28.59107316 0 3.34528827 |0><0|
19.37583724 0 3.12408551 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Ar','Element Symbol: Ar
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
8.00000000 -1 3.09403094
24.75224749 1 6.53700323
-20.38446872 0 3.35769859
Non-local component:
Coeff. r^n Exp. Proj.
30.67006675 0 3.68203169 |0><0|
20.84338017 0 3.45735664 |1><1|');
INSERT INTO "data_tab" VALUES(1,'K','Element Symbol: K
Number of replaced protons: 18
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
1.00000000 -1 5.46842198
5.46842198 1 3.45438113
-7.43169289 0 0.86173842
Non-local component:
Coeff. r^n Exp. Proj.
34.84862909 0 0.98715169 |0><0|
33.69024309 0 0.75016011 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Ca','Element Symbol: Ca
Number of replaced protons: 18
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
2.00000000 -1 5.46886760
10.93773521 1 3.45174786
-7.42323874 0 0.93761419
Non-local component:
Coeff. r^n Exp. Proj.
34.65752096 0 1.08463527 |0><0|
34.12044224 0 0.91231229 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Sc','Element Symbol: Sc
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
11.00000000 -1 1.64916555
18.14082106 1 3.06833288
-35.19310566 0 2.41985389
Non-local component:
Coeff. r^n Exp. Proj.
97.62913482 0 7.60319353 |0><0|
33.97033635 0 5.31121835 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Ti','Element Symbol: Ti
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
12.00000000 -1 1.85755224
22.29062683 1 3.30638246
-41.26280518 0 2.70879079
Non-local component:
Coeff. r^n Exp. Proj.
96.94231089 0 8.03040157 |0><0|
38.01641313 0 5.93291405 |1><1|');
INSERT INTO "data_tab" VALUES(1,'V','Element Symbol: V
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
13.00000000 -1 2.16361754
28.12702797 1 4.07901780
-48.27656329 0 3.21436396
Non-local component:
Coeff. r^n Exp. Proj.
96.23226580 0 8.44326050 |0><0|
41.58043539 0 6.53136059 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Cr','Element Symbol: Cr
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
14.00000000 -1 2.94337662
41.20727267 1 3.40750349
-55.51413840 0 3.33587110
Non-local component:
Coeff. r^n Exp. Proj.
103.26274052 0 9.14231779 |0><0|
45.80124572 0 7.21220771 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Mn','Element Symbol: Mn
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
15.00000000 -1 3.29524605
49.42869068 1 3.61599152
-61.66925169 0 3.57405761
Non-local component:
Coeff. r^n Exp. Proj.
112.85037953 0 9.99154195 |0><0|
49.18832867 0 7.80925218 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Fe','Element Symbol: Fe
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
16.00000000 -1 3.72075632
59.53210107 1 3.92321272
-68.75847841 0 3.89595440
Non-local component:
Coeff. r^n Exp. Proj.
112.92561163 0 10.42343546 |0><0|
52.55882759 0 8.41664076 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Co','Element Symbol: Co
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
17.00000000 -1 4.18819322
71.19928469 1 4.42968808
-77.65278252 0 4.39800669
Non-local component:
Coeff. r^n Exp. Proj.
113.90484511 0 10.86075441 |0><0|
56.10698766 0 9.05202771 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Ni','Element Symbol: Ni
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
18.00000000 -1 4.22878924
76.11820629 1 4.46202418
-82.85330412 0 4.44960456
Non-local component:
Coeff. r^n Exp. Proj.
120.84003628 0 11.62700064 |0><0|
58.54148726 0 9.57327085 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Cu','Element Symbol: Cu
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
19.00000000 -1 6.25149628
118.77842940 1 6.72725326
-105.89982403 0 6.61024592
Non-local component:
Coeff. r^n Exp. Proj.
127.35069424 0 12.36568715 |0><0|
71.22984900 0 11.16072939 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Zn','Element Symbol: Zn
Number of replaced protons: 10
Number of projectors: 2
Pseudopotential data:
Local component:
Coeff. r^n Exp.
20.00000000 -1 5.25282726
105.05654526 1 5.85433298
-105.08806248 0 5.80452897
Non-local component:
Coeff. r^n Exp. Proj.
123.87006927 0 12.52174964 |0><0|
72.33499364 0 11.56019052 |1><1|');
INSERT INTO "data_tab" VALUES(1,'Ga','Element Symbol: Ga
Number of replaced protons: 28
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
3.00000000 -1 1.22544253
3.67632759 1 5.71065133
-11.23828733 0 1.33931968
Non-local component:
Coeff. r^n Exp. Proj.
57.88512249 0 2.48772664 |0><0|
43.67871044 0 2.12489462 |1><1|
17.97137628 0 1.27124173 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Ge','Element Symbol: Ge
Number of replaced protons: 28
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
4.00000000 -1 1.88492329
7.53969315 1 9.98137268
-13.13622589 0 1.98008364
Non-local component:
Coeff. r^n Exp. Proj.
61.26369269 0 3.03315885 |0><0|
55.52495744 0 2.76564031 |1><1|
23.49168485 0 1.66026543 |2><2|');
INSERT INTO "data_tab" VALUES(1,'As','Element Symbol: As
Number of replaced protons: 28
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
5.00000000 -1 1.21796059
6.08980295 1 9.96302171
-14.92625816 0 1.86158567
Non-local component:
Coeff. r^n Exp. Proj.
73.75553709 0 3.54546456 |0><0|
68.03580909 0 3.28664249 |1><1|
23.32540737 0 1.95862616 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Se','Element Symbol: Se
Number of replaced protons: 28
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
6.00000000 -1 1.73494732
10.40968393 1 6.91632737
-17.83199463 0 3.10551681
Non-local component:
Coeff. r^n Exp. Proj.
85.94238004 0 4.67503354 |0><0|
78.84838432 0 4.34256579 |1><1|
30.92151589 0 2.61905005 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Br','Element Symbol: Br
Number of replaced protons: 28
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
7.00000000 -1 1.86793881
13.07557164 1 5.30536536
-18.79056037 0 3.32134623
Non-local component:
Coeff. r^n Exp. Proj.
88.58537968 0 5.17694821 |0><0|
79.43718432 0 4.80714881 |1><1|
29.35463757 0 3.03534088 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Kr','Element Symbol: Kr
Number of replaced protons: 28
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
8.00000000 -1 1.72397711
13.79181690 1 6.70510242
-22.77215308 0 2.75463922
Non-local component:
Coeff. r^n Exp. Proj.
92.78570269 0 4.85045356 |0><0|
80.37767796 0 4.52350391 |1><1|
31.36172413 0 3.04556109 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Rb','Element Symbol: Rb
Number of replaced protons: 36
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
1.00000000 -1 4.38377252
4.38377252 1 3.19763054
-14.25890642 0 0.92493011
Non-local component:
Coeff. r^n Exp. Proj.
120.87192624 0 1.14964523 |0><0|
110.02656159 0 0.75675227 |1><1|
22.44443305 0 1.97938422 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Sr','Element Symbol: Sr
Number of replaced protons: 36
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
2.00000000 -1 4.38393876
8.76787753 1 3.19649834
-14.25524313 0 0.98991497
Non-local component:
Coeff. r^n Exp. Proj.
146.87160520 0 1.28683494 |0><0|
140.02622842 0 0.95674483 |1><1|
24.44548775 0 1.94831654 |2><2|');
INSERT INTO "data_tab" VALUES(1,'In','Element Symbol: In
Number of replaced protons: 46
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
3.00000000 -1 0.84508372
2.53525117 1 5.66019931
-7.66579852 0 0.85764327
Non-local component:
Coeff. r^n Exp. Proj.
58.16918845 0 1.87837596 |0><0|
43.63891951 0 1.51547534 |1><1|
17.93363847 0 0.83917399 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Sn','Element Symbol: Sn
Number of replaced protons: 46
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
4.00000000 -1 0.61334103
2.45336413 1 5.67826592
-9.33070594 0 0.86945138
Non-local component:
Coeff. r^n Exp. Proj.
58.04190484 0 2.01380769 |0><0|
43.68447157 0 1.63883815 |1><1|
17.95660523 0 0.92346533 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Sb','Element Symbol: Sb
Number of replaced protons: 46
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
5.00000000 -1 0.74773404
3.73867018 1 5.79307847
-13.88202267 0 1.07909250
Non-local component:
Coeff. r^n Exp. Proj.
57.56076138 0 2.04356327 |0><0|
43.88817098 0 1.70062095 |1><1|
17.82275877 0 1.00414410 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Te','Element Symbol: Te
Number of replaced protons: 46
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
6.00000000 -1 1.28872858
7.73237146 1 5.81046154
-13.65642757 0 1.55436985
Non-local component:
Coeff. r^n Exp. Proj.
57.52907325 0 2.39157624 |0><0|
43.70165092 0 1.96781367 |1><1|
18.64325026 0 1.13849722 |2><2|');
INSERT INTO "data_tab" VALUES(1,'I','Element Symbol: I
Number of replaced protons: 46
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
7.00000000 -1 1.01780923
7.12466460 1 3.60136147
-29.18419372 0 1.68345378
Non-local component:
Coeff. r^n Exp. Proj.
108.68417388 0 2.80278521 |0><0|
99.35380694 0 2.51494051 |1><1|
41.32653157 0 1.56672279 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Xe','Element Symbol: Xe
Number of replaced protons: 46
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
8.00000000 -1 1.22029027
9.76232213 1 5.14625292
-32.16318995 0 2.10563577
Non-local component:
Coeff. r^n Exp. Proj.
110.93633943 0 3.20320603 |0><0|
99.49007680 0 2.86062806 |1><1|
41.81892440 0 1.74523568 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Cs','Element Symbol: Cs
Number of replaced protons: 54
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
1.00000000 -1 4.56591654
4.56591654 1 3.44071226
-10.05901330 0 0.53597632
Non-local component:
Coeff. r^n Exp. Proj.
80.60678398 0 0.75497262 |0><0|
38.41951903 0 0.45697820 |1><1|
34.36421109 0 1.21638889 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Ba','Element Symbol: Ba
Number of replaced protons: 54
Number of projectors: 3
Pseudopotential data:
Local component:
Coeff. r^n Exp.
2.00000000 -1 4.56523866
9.13047731 1 3.44590138
-11.09995006 0 0.73875795
Non-local component:
Coeff. r^n Exp. Proj.
84.60641087 0 0.87685449 |0><0|
42.41929187 0 0.55569714 |1><1|
35.35527943 0 1.68654278 |2><2|');
INSERT INTO "data_tab" VALUES(1,'Tl','Element Symbol: Tl
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
3.00000000 -1 1.34540299
4.03620897 1 1.80622564
-21.68751419 0 0.88272932
Non-local component:
Coeff. r^n Exp. Proj.
91.69120822 0 1.55008480 |0><0|
85.52036047 0 1.34656124 |1><1|
62.00124014 0 0.92193030 |2><2|
45.59483689 0 0.95782546 |3><3|');
INSERT INTO "data_tab" VALUES(1,'Pb','Element Symbol: Pb
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
4.00000000 -1 1.33905502
5.35622008 1 3.57680327
-25.11165802 0 1.08584447
Non-local component:
Coeff. r^n Exp. Proj.
121.69447681 0 1.89957262 |0><0|
114.36466627 0 1.64009233 |1><1|
49.32959048 0 0.93051806 |2><2|
45.59434323 0 1.07638351 |3><3|');
INSERT INTO "data_tab" VALUES(1,'Bi','Element Symbol: Bi
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
5.00000000 -1 1.32337887
6.61689433 1 3.57500194
-25.11872438 0 1.26988106
Non-local component:
Coeff. r^n Exp. Proj.
121.69346942 0 2.17897203 |0><0|
114.36404033 0 1.85248885 |1><1|
59.32816833 0 1.10815262 |2><2|
55.59430794 0 1.13749297 |3><3|');
INSERT INTO "data_tab" VALUES(1,'Po','Element Symbol: Po
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
6.00000000 -1 1.12915012
6.77490072 1 3.57645639
-27.15687722 0 1.43566151
Non-local component:
Coeff. r^n Exp. Proj.
123.68767392 0 2.45166968 |0><0|
116.36047985 0 2.06261668 |1><1|
81.32822758 0 1.28212112 |2><2|
80.59441478 0 1.32883356 |3><3|');
INSERT INTO "data_tab" VALUES(1,'At','Element Symbol: At
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
7.00000000 -1 1.03089969
7.21629781 1 3.69262441
-29.19452905 0 1.45693225
Non-local component:
Coeff. r^n Exp. Proj.
128.68209352 0 2.56609159 |0><0|
119.35613288 0 2.15280178 |1><1|
80.33152157 0 1.37630746 |2><2|
80.58962589 0 1.47835294 |3><3|');
INSERT INTO "data_tab" VALUES(1,'Rn','Element Symbol: Rn
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
8.00000000 -1 1.09138091
8.73104728 1 3.03187023
-29.28994938 0 1.65026568
Non-local component:
Coeff. r^n Exp. Proj.
128.63606138 0 2.92260183 |0><0|
119.39674828 0 2.42144059 |1><1|
80.33096401 0 1.49781359 |2><2|
80.58961959 0 1.47976575 |3><3|');
INSERT INTO "data_tab" VALUES(1,'Rn','Element Symbol: Rn
Number of replaced protons: 78
Number of projectors: 4
Pseudopotential data:
Local component:
Coeff. r^n Exp.
8.00000000 -1 1.09138091
8.73104728 1 3.03187023
-29.28994938 0 1.65026568
Non-local component:
Coeff. r^n Exp. Proj.
128.63606138 0 2.92260183 |0><0|
119.39674828 0 2.42144059 |1><1|
80.33096401 0 1.49781359 |2><2|
80.58961959 0 1.47976575 |3><3|');
CREATE TABLE format_tab(format TEXT);
INSERT INTO "format_tab" VALUES('BFD-Pseudo');
DELETE FROM sqlite_sequence;
INSERT INTO "sqlite_sequence" VALUES('basis_tab',5);
CREATE VIEW output_tab AS
SELECT basis_id,
name,
description,
elt,
data
FROM basis_tab
NATURAL JOIN data_tab;
COMMIT;
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