Add basis set in qp

2016-01-14 15:17:57 +01:00 · 2016-01-14 15:17:57 +01:00 · d8fa797cf8
parent e7b2a9377c
commit d8fa797cf8
4 changed files with 746313 additions and 0 deletions
--- a/data/BFD-Orbital.dump
+++ b/data/BFD-Orbital.dump
--- a/data/BFD-Pseudo.dump
+++ b/data/BFD-Pseudo.dump
@ -0,0 +1,895 @@
+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;
--- a/data/GAMESS-US.dump
+++ b/data/GAMESS-US.dump
--- a/ocaml/qp_print_basis.ml
+++ b/ocaml/qp_print_basis.ml
@ -0,0 +1,19 @@
+open Core.Std
+open Qptypes
+
+let () =
+  let ezfio_filename =
+    Sys.argv.(1)
+  in
+  if (not (Sys.file_exists_exn ezfio_filename)) then
+    failwith "Error reading EZFIO file";
+  Ezfio.set_file ezfio_filename;
+  let basis =
+     match Input.Ao_basis.read () with
+    | Some basis -> basis
+    | _ -> failwith "Error reading basis set"
+  in
+  Input.Ao_basis.to_rst basis
+  |> Rst_string.to_string
+  |> print_endline
+