/usr/share/espresso/pseudo/H.blyp-vbc.UPF is in quantum-espresso-data 6.0-3.
This file is owned by root:root, with mode 0o644.
The actual contents of the file can be viewed below.
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Generated using ld1 code
Author: P. Giannozzi Generation date: 2001
Info: Hydrogen BLYP 1s1 local VonBarth-Car
0 The Pseudo was generated with a Non-Relativistic Calculation
0.00000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
1S 0 0 1.00 0.94000000000 0.00000000000 0.00000000000
</PP_INFO>
<PP_HEADER>
0 Version Number
H Element
NC Norm - Conserving pseudopotential
F Nonlinear Core Correction
SLA LYP B88 BLYP BLYP Exchange-Correlation functional
1.00000000000 Z valence
0.00000000000 Total energy
60.000000 240.00000 Suggested cutoff for wfc and rho
-1 Max angular momentum component
243 Number of points in mesh
1 0 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
1S 0 1.00
</PP_HEADER>
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-9.95741367357E-02 -9.47178487823E-02 -9.00984047871E-02 -8.57042537341E-02
-8.15244079567E-02 -7.75484156634E-02 -7.37663348025E-02 -7.01687082017E-02
-6.67465399207E-02 -6.34912727561E-02 -6.03947668446E-02 -5.74492793085E-02
-5.46474448946E-02 -5.19822575575E-02 -4.94470529407E-02 -4.70354917120E-02
-4.47415437123E-02 -4.25594728768E-02 -4.04838228916E-02 -3.85094035508E-02
-3.66312777775E-02 -3.48447492790E-02 -3.31453508035E-02
</PP_LOCAL>
<PP_NONLOCAL>
<PP_DIJ>
0 Number of nonzero Dij
</PP_DIJ>
</PP_NONLOCAL>
<PP_PSWFC>
1S 0 1.00 Wavefunction
5.54554020000E-04 5.82986610000E-04 6.12876970000E-04 6.44299850000E-04
6.77333810000E-04 7.12061460000E-04 7.48569630000E-04 7.86949610000E-04
8.27297370000E-04 8.69713790000E-04 9.14304950000E-04 9.61182330000E-04
1.01046320000E-03 1.06227070000E-03 1.11673440000E-03 1.17399050000E-03
1.23418220000E-03 1.29745990000E-03 1.36398200000E-03 1.43391470000E-03
1.50743280000E-03 1.58472030000E-03 1.66597040000E-03 1.75138620000E-03
1.84118130000E-03 1.93558020000E-03 2.03481900000E-03 2.13914570000E-03
2.24882130000E-03 2.36412000000E-03 2.48533000000E-03 2.61275440000E-03
2.74671180000E-03 2.88753710000E-03 3.03558240000E-03 3.19121790000E-03
3.35483260000E-03 3.52683560000E-03 3.70765680000E-03 3.89774840000E-03
4.09758560000E-03 4.30766780000E-03 4.52852040000E-03 4.76069520000E-03
5.00477270000E-03 5.26136290000E-03 5.53110720000E-03 5.81467960000E-03
6.11278900000E-03 6.42618010000E-03 6.75563630000E-03 7.10198060000E-03
7.46607830000E-03 7.84883910000E-03 8.25121910000E-03 8.67422330000E-03
9.11890810000E-03 9.58638400000E-03 1.00778180000E-02 1.05944370000E-02
1.11375300000E-02 1.17084530000E-02 1.23086300000E-02 1.29395580000E-02
1.36028100000E-02 1.43000400000E-02 1.50329850000E-02 1.58034710000E-02
1.66134160000E-02 1.74648340000E-02 1.83598420000E-02 1.93006640000E-02
2.02896380000E-02 2.13292180000E-02 2.24219830000E-02 2.35706420000E-02
2.47780370000E-02 2.60471570000E-02 2.73811360000E-02 2.87832650000E-02
3.02570000000E-02 3.18059660000E-02 3.34339680000E-02 3.51449950000E-02
3.69432330000E-02 3.88330700000E-02 4.08191070000E-02 4.29061640000E-02
4.50992910000E-02 4.74037740000E-02 4.98251500000E-02 5.23692080000E-02
5.50420040000E-02 5.78498660000E-02 6.07994020000E-02 6.38975110000E-02
6.71513850000E-02 7.05685200000E-02 7.41567160000E-02 7.79240860000E-02
8.18790540000E-02 8.60303540000E-02 9.03870340000E-02 9.49584450000E-02
9.97542330000E-02 1.04784330000E-01 1.10058930000E-01 1.15588490000E-01
1.21383660000E-01 1.27455290000E-01 1.33814360000E-01 1.40471940000E-01
1.47439120000E-01 1.54726970000E-01 1.62346390000E-01 1.70308080000E-01
1.78622390000E-01 1.87299190000E-01 1.96347740000E-01 2.05776530000E-01
2.15593070000E-01 2.25803740000E-01 2.36413530000E-01 2.47425830000E-01
2.58842200000E-01 2.70662090000E-01 2.82882590000E-01 2.95498170000E-01
3.08500430000E-01 3.21877850000E-01 3.35615580000E-01 3.49695240000E-01
3.64094790000E-01 3.78788420000E-01 3.93746540000E-01 4.08935770000E-01
4.24319060000E-01 4.39855800000E-01 4.55502060000E-01 4.71210790000E-01
4.86932060000E-01 5.02613270000E-01 5.18199320000E-01 5.33632720000E-01
5.48853520000E-01 5.63799290000E-01 5.78404820000E-01 5.92601880000E-01
6.06318930000E-01 6.19480840000E-01 6.32008720000E-01 6.43819960000E-01
6.54828480000E-01 6.64945200000E-01 6.74078810000E-01 6.82136710000E-01
6.89026140000E-01 6.94655460000E-01 6.98935480000E-01 7.01780810000E-01
7.03111300000E-01 7.02853460000E-01 7.00941860000E-01 6.97320630000E-01
6.91944810000E-01 6.84781770000E-01 6.75812530000E-01 6.65032940000E-01
6.52454780000E-01 6.38106700000E-01 6.22034860000E-01 6.04303390000E-01
5.84994590000E-01 5.64208700000E-01 5.42063470000E-01 5.18693210000E-01
4.94247610000E-01 4.68890120000E-01 4.42796010000E-01 4.16150140000E-01
3.89144520000E-01 3.61975730000E-01 3.34842310000E-01 3.07942100000E-01
2.81469790000E-01 2.55614490000E-01 2.30557360000E-01 2.06469160000E-01
1.83507430000E-01 1.61813170000E-01 1.41506930000E-01 1.22684590000E-01
1.05413500000E-01 8.97300400000E-02 7.56391480000E-02 6.31161190000E-02
5.21099970000E-02 4.25477380000E-02 3.43384900000E-02 2.73777710000E-02
2.15515520000E-02 1.67402560000E-02 1.28225850000E-02 9.67903910000E-03
7.19499650000E-03 5.26324060000E-03 3.78586650000E-03 2.67554730000E-03
1.85616920000E-03 1.26293100000E-03 8.41861070000E-04 5.49141780000E-04
3.50161980000E-04 2.18064220000E-04 1.32477710000E-04 7.84146230000E-05
4.51617100000E-05 2.52728030000E-05 1.37215790000E-05 7.21649280000E-06
3.67023340000E-06 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_PSWFC>
<PP_RHOATOM>
3.07530161098E-07 3.39873387439E-07 3.75618180356E-07 4.15122296710E-07
4.58781090169E-07 5.07031522817E-07 5.60356490958E-07 6.19289688679E-07
6.84420938409E-07 7.56402076516E-07 8.35953541595E-07 9.23871471504E-07
1.02103587855E-06 1.12841904008E-06 1.24709572014E-06 1.37825369409E-06
1.52320570280E-06 1.68340219211E-06 1.86044689632E-06 2.05611136688E-06
2.27235364652E-06 2.51133842923E-06 2.77545737368E-06 3.06735362155E-06
3.38994857947E-06 3.74647071063E-06 4.14048836276E-06 4.57594432583E-06
5.05719723933E-06 5.58906337440E-06 6.17686520890E-06 6.82648555472E-06
7.54442571226E-06 8.33787050388E-06 9.21476050719E-06 1.01838716853E-05
1.12549017740E-05 1.24385693494E-05 1.37467189466E-05 1.51924425897E-05
1.67902077493E-05 1.85560018752E-05 2.05074970132E-05 2.26642187873E-05
2.50477497787E-05 2.76819395655E-05 3.05931468579E-05 3.38104988507E-05
3.73661893585E-05 4.12957906776E-05 4.56386218179E-05 5.04381284428E-05
5.57423251817E-05 6.16042752177E-05 6.80826166362E-05 7.52421498583E-05
8.31544849362E-05 9.18987581955E-05 1.01562415641E-04 1.12242095347E-04
1.24044574501E-04 1.37087871653E-04 1.51502372477E-04 1.67432161235E-04
1.85036439896E-04 2.04491144002E-04 2.25990638010E-04 2.49749695648E-04
2.76005591189E-04 3.05020426648E-04 3.37083798265E-04 3.72515630841E-04
4.11669410171E-04 4.54935540492E-04 5.02745321652E-04 5.55575164292E-04
6.13951117573E-04 6.78454387783E-04 7.49726608650E-04 8.28476344060E-04
9.15486049000E-04 1.01161947319E-03 1.11783021623E-03 1.23517067355E-03
1.36480246449E-03 1.50800732562E-03 1.66619949628E-03 1.84093890919E-03
2.03394604870E-03 2.24711778944E-03 2.48254557252E-03 2.74253394655E-03
3.02962220434E-03 3.34660699622E-03 3.69656728356E-03 4.08289191200E-03
4.50930850742E-03 4.97991601499E-03 5.49921852790E-03 6.07216317894E-03
6.70417948393E-03 7.40122180937E-03 8.16981591532E-03 9.01710627682E-03
9.95090700142E-03 1.09797558135E-02 1.21129680727E-02 1.33606990205E-02
1.47339929150E-02 1.62448509490E-02 1.79062829422E-02 1.97323659274E-02
2.17382941064E-02 2.39404352454E-02 2.63563503460E-02 2.90048421133E-02
3.19059582093E-02 3.50809865747E-02 3.85524350031E-02 4.23439802988E-02
4.64803718320E-02 5.09873289980E-02 5.58913571671E-02 6.12195413512E-02
6.69992845008E-02 7.32579669632E-02 8.00225597251E-02 8.73191684733E-02
9.51725153102E-02 1.03605350321E-01 1.12637817539E-01 1.22286760879E-01
1.32565016105E-01 1.43480667126E-01 1.55036337762E-01 1.67228463985E-01
1.80046664679E-01 1.93473124794E-01 2.07482126664E-01 2.22039608612E-01
2.37102831056E-01 2.52620099180E-01 2.68530535248E-01 2.84763879855E-01
3.01240186416E-01 3.17869639405E-01 3.34552135799E-01 3.51176988180E-01
3.67622644876E-01 3.83756511127E-01 3.99435022156E-01 4.14504140894E-01
4.28800338219E-01 4.42152119003E-01 4.54382242091E-01 4.65310491130E-01
4.74757021603E-01 4.82546208108E-01 4.88510805203E-01 4.92496305284E-01
4.94365500188E-01 4.94002986234E-01 4.91319491100E-01 4.86256061024E-01
4.78787620086E-01 4.68926072524E-01 4.56722575705E-01 4.42268811285E-01
4.25697239945E-01 4.07180160585E-01 3.86927367055E-01 3.65182587165E-01
3.42218670329E-01 3.18331457156E-01 2.93832805508E-01 2.69042646100E-01
2.44280699991E-01 2.19857944634E-01 1.96068306472E-01 1.73180939022E-01
1.51433457446E-01 1.31026429109E-01 1.12119372566E-01 9.48283369524E-02
7.92252426826E-02 6.53387674980E-02 5.31566962502E-02 4.26295140311E-02
3.36749768652E-02 2.61835019854E-02 2.00242112380E-02 1.50515086235E-02
1.11120059822E-02 8.05148007840E-03 5.72128071017E-03 3.98364447762E-03
2.71545178734E-03 1.81031000892E-03 1.17913189548E-03 7.49542344928E-04
4.64469393609E-04 2.80236170946E-04 1.64418686082E-04 9.36837978993E-05
5.17679746350E-05 2.77017016135E-05 1.43327851558E-05 7.15855335454E-06
3.44536409903E-06 1.59499471076E-06 7.08730061182E-07 3.01556694542E-07
1.22613412238E-07 4.75520040442E-08 1.75503436468E-08 6.14885310023E-09
2.03958005012E-09 6.38714571477E-10 1.88281730253E-10 5.20777683325E-11
1.34706132105E-11 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
0.00000000000E+00 0.00000000000E+00 0.00000000000E+00
</PP_RHOATOM>
|