/usr/share/espresso/pseudo/Ti.pz-sp-van_ak.UPF is in quantum-espresso-data 5.0.2-5build1.
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 Vanderbilt code, version 7 3 4
Author: akohlmey Generation date: 18 9 2006
Automatically converted from original format
1 The Pseudo was generated with a Scalar-Relativistic Calculation
1.80000000000E+00 Local Potential cutoff radius
nl pn l occ Rcut Rcut US E pseu
3S 3 0 2.00 1.00000000000 1.80000000000 -5.53031517473
3P 3 1 6.00 1.00000000000 1.80000000000 -3.78675441729
4S 4 0 2.00 1.00000000000 1.80000000000 -0.89043639713
3D 3 2 1.00 1.00000000000 1.80000000000 -1.18524461949
</PP_INFO>
<PP_HEADER>
0 Version Number
Ti Element
US Ultrasoft pseudopotential
F Nonlinear Core Correction
SLA PZ NOGX NOGC PZ Exchange-Correlation functional
12.00000000000 Z valence
-115.34079641237 Total energy
0.0000000 0.0000000 Suggested cutoff for wfc and rho
2 Max angular momentum component
851 Number of points in mesh
4 6 Number of Wavefunctions, Number of Projectors
Wavefunctions nl l occ
3S 0 2.00
3P 1 6.00
4S 0 2.00
3D 2 1.00
</PP_HEADER>
<PP_MESH>
<PP_R>
0.00000000000E+00 1.92594586727E-06 3.88481309127E-06 5.87716441663E-06
7.90357220736E-06 9.96461861118E-06 1.20608957269E-05 1.41930057742E-05
1.63615612673E-05 1.85671851900E-05 2.08105111754E-05 2.30921836878E-05
2.54128582075E-05 2.77732014193E-05 3.01738914042E-05 3.26156178339E-05
3.50990821692E-05 3.76249978614E-05 4.01940905572E-05 4.28070983071E-05
4.54647717778E-05 4.81678744673E-05 5.09171829249E-05 5.37134869735E-05
5.65575899374E-05 5.94503088721E-05 6.23924747999E-05 6.53849329480E-05
6.84285429920E-05 7.15241793019E-05 7.46727311942E-05 7.78751031870E-05
8.11322152597E-05 8.44450031176E-05 8.78144184605E-05 9.12414292564E-05
9.47270200190E-05 9.82721920912E-05 1.01877963932E-04 1.05545371411E-04
1.09275468102E-04 1.13069325590E-04 1.16928033777E-04 1.20852701195E-04
1.24844455326E-04 1.28904442922E-04 1.33033830341E-04 1.37233803874E-04
1.41505570093E-04 1.45850356194E-04 1.50269410349E-04 1.54764002069E-04
1.59335422560E-04 1.63984985106E-04 1.68714025434E-04 1.73523902106E-04
1.78415996908E-04 1.83391715242E-04 1.88452486538E-04 1.93599764655E-04
1.98835028309E-04 2.04159781488E-04 2.09575553892E-04 2.15083901367E-04
2.20686406354E-04 2.26384678345E-04 2.32180354343E-04 2.38075099333E-04
2.44070606763E-04 2.50168599025E-04 2.56370827953E-04 2.62679075330E-04
2.69095153392E-04 2.75620905353E-04 2.82258205937E-04 2.89008961912E-04
2.95875112638E-04 3.02858630628E-04 3.09961522113E-04 3.17185827614E-04
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1.22789925416E+00 1.22566229948E+00 1.22108132268E+00 1.21409504742E+00
1.20465373784E+00 1.19272008319E+00 1.17826990891E+00 1.16129267599E+00
1.14179171990E+00 1.11978419135E+00 1.09530065587E+00 1.06838432517E+00
1.03908989663E+00 1.00748200267E+00 9.73633288620E-01 9.37622177507E-01
8.99530417002E-01 8.59440565715E-01 8.17433641707E-01 7.73587247164E-01
7.27974592340E-01 6.80664970778E-01 6.31726402431E-01 5.81231345048E-01
5.29266604311E-01 4.75948827129E-01 4.21447271877E-01 3.66015884286E-01
3.10037105092E-01 2.54080258580E-01 1.98977854137E-01 1.45923626141E-01
9.65967837335E-02 5.33165394836E-02 1.92407290955E-02 -1.46573762861E-03
-2.64605777726E-04 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_BETA>
<PP_BETA>
6 2 Beta L
585
0.00000000000E+00 -4.20693451353E-17 -3.40815204948E-11 -3.13971643015E-11
-3.23435086884E-11 -3.29416065630E-11 -3.35827914034E-11 -3.42278073834E-11
-3.48799654654E-11 -3.55380176394E-11 -3.62012195631E-11 -3.68689459508E-11
-3.75398161356E-11 -3.82130896836E-11 -3.88874487641E-11 -3.95618369389E-11
-4.02345025850E-11 -4.09044516655E-11 -4.15694473380E-11 -4.22283986648E-11
-4.28787188321E-11 -4.35188235771E-11 -4.41464037671E-11 -4.47587424477E-11
-4.53535523486E-11 -4.59276334390E-11 -4.64785490630E-11 -4.70028864734E-11
-4.74961862375E-11 -4.79564925227E-11 -4.83778457981E-11 -4.87575777534E-11
-4.90902439214E-11 -4.93698381339E-11 -4.95938843108E-11 -4.97542007804E-11
-4.98449719049E-11 -4.98613709422E-11 -4.97941211456E-11 -4.96384497472E-11
-4.93832894842E-11 -4.90239452537E-11 -4.85490266270E-11 -4.79459705643E-11
-4.72157021428E-11 -4.63308139641E-11 -4.52945046622E-11 -4.40871451410E-11
-4.26960754332E-11 -4.11094540729E-11 -3.93105129938E-11 -3.72854969770E-11
-3.50155416932E-11 -3.24842246739E-11 -2.96733639154E-11 -2.65563527946E-11
-2.31288604558E-11 -1.93431689687E-11 -1.52000870616E-11 -1.06546674772E-11
-5.69413616874E-12 -2.80462722831E-13 5.61055744108E-12 1.20173735183E-11
1.89663607190E-11 2.65019924329E-11 3.46554879161E-11 4.34757096480E-11
5.29871480206E-11 6.32687897923E-11 7.43295700535E-11 8.62533004306E-11
9.90755124748E-11 1.12853195549E-10 1.27662322555E-10 1.43553066240E-10
1.60596188581E-10 1.78857414420E-10 1.98433076272E-10 2.19388326147E-10
2.41797096082E-10 2.65776839269E-10 2.91401052400E-10 3.18768747787E-10
3.48016672409E-10 3.79208921831E-10 4.12514664847E-10 4.48007116251E-10
4.85872705271E-10 5.26208798691E-10 5.69176653844E-10 6.14950113183E-10
6.63668813841E-10 7.15518460314E-10 7.70678690662E-10 8.29361009202E-10
8.91735989403E-10 9.58067384678E-10 1.02853500803E-09 1.10342006541E-09
1.18296229162E-09 1.26741161163E-09 1.35709650174E-09 1.45227194584E-09
1.55329605907E-09 1.66046489719E-09 1.77415226393E-09 1.89473053923E-09
2.02259511324E-09 2.15815047361E-09 2.30183776974E-09 2.45410995267E-09
2.61549321981E-09 2.78643953947E-09 2.96752845737E-09 3.15936617472E-09
3.36245398073E-09 3.57752833811E-09 3.80522667998E-09 4.04622558906E-09
4.30133143796E-09 4.57124891601E-09 4.85689196167E-09 5.15911659149E-09
5.47875403516E-09 5.81692301491E-09 6.17452357804E-09 6.55274716817E-09
6.95261089540E-09 7.37542735749E-09 7.82238373115E-09 8.29485687647E-09
8.79430628558E-09 9.32202342718E-09 9.87977207366E-09 1.04691832371E-08
1.10918589303E-08 1.17497303272E-08 1.24447122459E-08 1.31788591701E-08
1.39542315553E-08 1.47731976284E-08 1.56380355763E-08 1.65512682303E-08
1.75156609543E-08 1.85338389444E-08 1.96087821416E-08 2.07435955124E-08
2.19416171313E-08 2.32060801176E-08 2.45407851135E-08 2.59493891690E-08
2.74361073077E-08 2.90048438932E-08 3.06604174255E-08 3.24072407176E-08
3.42503715382E-08 3.61949964541E-08 3.82466051304E-08 4.04109401151E-08
4.26940396438E-08 4.51024839159E-08 4.76428051504E-08 5.03221780917E-08
5.31482332301E-08 5.61285327737E-08 5.92717735252E-08 6.25863527286E-08
6.60816860300E-08 6.97673486602E-08 7.36536848807E-08 7.77512320171E-08
8.20715641288E-08 8.66264394186E-08 9.14284352866E-08 9.64908502435E-08
1.01827568047E-07 1.07453210138E-07 1.13383218990E-07 1.19633981942E-07
1.26222458225E-07 1.33166707952E-07 1.40485881875E-07 1.48199608476E-07
1.56329291627E-07 1.64896933601E-07 1.73925783853E-07 1.83440547664E-07
1.93466983550E-07 2.04032494188E-07 2.15165388535E-07 2.26896269030E-07
2.39256458715E-07 2.52279854304E-07 2.66001431836E-07 2.80458191178E-07
2.95689367772E-07 3.11735960138E-07 3.28641202275E-07 3.46450491033E-07
3.65212253893E-07 3.84976381906E-07 4.05796245446E-07 4.27727878411E-07
4.50829992533E-07 4.75164698270E-07 5.00797117129E-07 5.27795842002E-07
5.56233376959E-07 5.86185952087E-07 6.17732976510E-07 6.50959785462E-07
6.85953956383E-07 7.22810044069E-07 7.61625774311E-07 8.02504619080E-07
8.45555801980E-07 8.90893846470E-07 9.38639400042E-07 9.88919855295E-07
1.04186858531E-06 1.09762629740E-06 1.15634156469E-06 1.21817003424E-06
1.28327578912E-06 1.35183195360E-06 1.42401956984E-06 1.50003133610E-06
1.58006717306E-06 1.66433979089E-06 1.75307288418E-06 1.84650020856E-06
1.94486934484E-06 2.04844093667E-06 2.15748791711E-06 2.27229893952E-06
2.39317722649E-06 2.52044163146E-06 2.65442849159E-06 2.79549106823E-06
2.94400104051E-06 3.10035093940E-06 3.26495175520E-06 3.43823796670E-06
3.62066551741E-06 3.81271465465E-06 4.01489211945E-06 4.22772722188E-06
4.45178266929E-06 4.68764617145E-06 4.93593801340E-06 5.19731074113E-06
5.47245108822E-06 5.76208171732E-06 6.06696311810E-06 6.38789534617E-06
6.72572126321E-06 7.08132673136E-06 7.45564368369E-06 7.84965586745E-06
8.26439384414E-06 8.70094566897E-06 9.16045530831E-06 9.64412543168E-06
1.01532242124E-05 1.06890836375E-05 1.12531050806E-05 1.18467680559E-05
1.24716218369E-05 1.31293038454E-05 1.38215324950E-05 1.45501172979E-05
1.53169641890E-05 1.61240760148E-05 1.69735619235E-05 1.78676412995E-05
1.88086485500E-05 1.97990405300E-05 2.08414046035E-05 2.19384585801E-05
2.30930670409E-05 2.43082421266E-05 2.55871525366E-05 2.69331350737E-05
2.83496966978E-05 2.98405345003E-05 3.14095276419E-05 3.30607712434E-05
3.47985626801E-05 3.66274322882E-05 3.85521384947E-05 4.05776971197E-05
4.27093796302E-05 4.49527332560E-05 4.73135977502E-05 4.97981153500E-05
5.24127481384E-05 5.51642976118E-05 5.80599177635E-05 6.11071377720E-05
6.43138777789E-05 6.76884729571E-05 7.12396902056E-05 7.49767565115E-05
7.89093777811E-05 8.30477693916E-05 8.74026710109E-05 9.19853926178E-05
9.68078282354E-05 1.01882487360E-04 1.07222541323E-04 1.12841837979E-04
1.18754951732E-04 1.24977215140E-04 1.31524756916E-04 1.38414549277E-04
1.45664444629E-04 1.53293224494E-04 1.61320651791E-04 1.69767512349E-04
1.78655676920E-04 1.88008153810E-04 1.97849143618E-04 2.08204111698E-04
2.19099845320E-04 2.30564514743E-04 2.42627772182E-04 2.55320795356E-04
2.68676386271E-04 2.82729055261E-04 2.97515092832E-04 3.13072689689E-04
3.29442001975E-04 3.46665284685E-04 3.64786970358E-04 3.83853810040E-04
4.03914966465E-04 4.25022160456E-04 4.47229787889E-04 4.70595061401E-04
4.95178165135E-04 5.21042386702E-04 5.48254304607E-04 5.76883927288E-04
6.07004898715E-04 6.38694654229E-04 6.72034655045E-04 7.07110548208E-04
7.44012421775E-04 7.82835005563E-04 8.23677922114E-04 8.66645935873E-04
9.11849212988E-04 9.59403591517E-04 1.00943089110E-03 1.06205919400E-03
1.11742317808E-03 1.17566445514E-03 1.23693191076E-03 1.30138208988E-03
1.36917957385E-03 1.44049739219E-03 1.51551745600E-03 1.59443099825E-03
1.67743905507E-03 1.76475295108E-03 1.85659483024E-03 1.95319819476E-03
2.05480846958E-03 2.16168362441E-03 2.27409477523E-03 2.39232686539E-03
2.51667935200E-03 2.64746692627E-03 2.78502027470E-03 2.92968689263E-03
3.08183189078E-03 3.24183890060E-03 3.41011097573E-03 3.58707154449E-03
3.77316545430E-03 3.96885996954E-03 4.17464593291E-03 4.39103887979E-03
4.61858026165E-03 4.85783872794E-03 5.10941142273E-03 5.37392538226E-03
5.65203899167E-03 5.94444349104E-03 6.25186454783E-03 6.57506394134E-03
6.91484126098E-03 7.27203571063E-03 7.64752803658E-03 8.04224242697E-03
8.45714862012E-03 8.89326401274E-03 9.35165591227E-03 9.83344384352E-03
1.03398019804E-02 1.08719616803E-02 1.14312140873E-02 1.20189128994E-02
1.26364771456E-02 1.32853942618E-02 1.39672230034E-02 1.46835967728E-02
1.54362268268E-02 1.62269057810E-02 1.70575111050E-02 1.79300088455E-02
1.88464574088E-02 1.98090115277E-02 2.08199262769E-02 2.18815613566E-02
2.29963853564E-02 2.41669802247E-02 2.53960458970E-02 2.66864050038E-02
2.80410076546E-02 2.94629365276E-02 3.09554118211E-02 3.25217965474E-02
3.41656017566E-02 3.58904920339E-02 3.77002908688E-02 3.95989862942E-02
4.15907365018E-02 4.36798754646E-02 4.58709187455E-02 4.81685690776E-02
5.05777222211E-02 5.31034724600E-02 5.57511184182E-02 5.85261683712E-02
6.14343458017E-02 6.44815944679E-02 6.76740835424E-02 7.10182122425E-02
7.45206143537E-02 7.81881622280E-02 8.20279704235E-02 8.60473988595E-02
9.02540552040E-02 9.46557970096E-02 9.92607324658E-02 1.04077220896E-01
1.09113871839E-01 1.14379543334E-01 1.19883338675E-01 1.25634602191E-01
1.31642912960E-01 1.37918077479E-01 1.44470119848E-01 1.51309270324E-01
1.58445951328E-01 1.65890761228E-01 1.73654455002E-01 1.81747922337E-01
1.90182162116E-01 1.98968253568E-01 2.08117323440E-01 2.17640508921E-01
2.27548916313E-01 2.37853574339E-01 2.48565382455E-01 2.59695053553E-01
2.71253050100E-01 2.83249514128E-01 2.95694190039E-01 3.08596339702E-01
3.21964649949E-01 3.35807130924E-01 3.50131006418E-01 3.64942592988E-01
3.80247171285E-01 3.96048844024E-01 4.12350385704E-01 4.29153077849E-01
4.46456534856E-01 4.64258514508E-01 4.82554718282E-01 5.01338575502E-01
5.20601016445E-01 5.40330229035E-01 5.60511404026E-01 5.81126463426E-01
6.02153777845E-01 6.23567867273E-01 6.45339091496E-01 6.67433325157E-01
6.89811623968E-01 7.12429877814E-01 7.35238457140E-01 7.58181851078E-01
7.81198300276E-01 8.04219429716E-01 8.27169879425E-01 8.49966943514E-01
8.72520214920E-01 8.94731247489E-01 9.16493234889E-01 9.37690719028E-01
9.58199328750E-01 9.77885564098E-01 9.96606628004E-01 1.01421032288E+00
1.03053501641E+00 1.04540969522E+00 1.05865411420E+00 1.07007906134E+00
1.07948674867E+00 1.08667135074E+00 1.09141970557E+00 1.09351219665E+00
1.09272383951E+00 1.08882558658E+00 1.08158587869E+00 1.07077245649E+00
1.05615445953E+00 1.03750482629E+00 1.01460302022E+00 9.87238092275E-01
9.55212101124E-01 9.18343894218E-01 8.76473264037E-01 8.29465471850E-01
7.77216140887E-01 7.19656495578E-01 6.56758930412E-01 5.88542862835E-01
5.15080826909E-01 4.36504735354E-01 3.53012226194E-01 2.64872990082E-01
1.72434944283E-01 7.61301041717E-02 -2.35200363669E-02 -1.25899822563E-01
-2.30295705565E-01 -3.35893729938E-01 -4.41778561624E-01 -5.46934394929E-01
-6.50248125940E-01 -7.50515193807E-01 -8.46448531731E-01 -9.36691073660E-01
-1.01983228446E+00 -1.09442916347E+00 -1.15903216019E+00 -1.21221638458E+00
-1.25261842983E+00 -1.27897900603E+00 -1.29019143662E+00 -1.28535585751E+00
-1.26383868656E+00 -1.22533658772E+00 -1.16994370886E+00 -1.09822043662E+00
-1.01126123817E+00 -9.10758363932E-01 -7.99057210349E-01 -6.79198011384E-01
-5.54937173145E-01 -4.30740019702E-01 -3.11734898002E-01 -2.03616678956E-01
-1.12484141823E-01 -4.46049906608E-02 -5.98514698044E-03 -2.71822987047E-03
-3.03869970772E-04 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_BETA>
<PP_DIJ>
9 Number of nonzero Dij
1 1 6.20399043571E-01
1 2 -1.70828352121E+00
2 2 6.45814896400E+00
3 3 9.47715620860E+00
3 4 -3.05053119637E+01
4 4 9.45846177680E+01
5 5 6.06744034999E+01
5 6 8.01802903965E+01
6 6 1.05728883129E+02
</PP_DIJ>
<PP_QIJ>
8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's
<PP_RINNER>
1 1.00000000000E+00
2 1.00000000000E+00
3 1.00000000000E+00
4 1.00000000000E+00
5 1.00000000000E+00
</PP_RINNER>
1 1 0 i j (l(j))
6.75063702919E-02 Q_int
0.00000000000E+00 -3.28241426098E-13 -1.33550493282E-12 -3.05661627978E-12
-5.52779710228E-12 -8.78671637603E-12 -1.28725437136E-11 -1.78260045563E-11
-2.36894373285E-11 -3.05068526225E-11 -3.83239944849E-11 -4.71884038788E-11
-5.71494843969E-11 -6.82585703051E-11 -8.05689969977E-11 -9.41361739473E-11
-1.09017660240E-10 -1.25273242781E-10 -1.42965017269E-10 -1.62157472034E-10
-1.82917574835E-10 -2.05314862730E-10 -2.29421535114E-10 -2.55312550045E-10
-2.83065723964E-10 -3.12761834943E-10 -3.44484729560E-10 -3.78321433551E-10
-4.14362266354E-10 -4.52700959690E-10 -4.93434780322E-10 -5.36664657127E-10
-5.82495312644E-10 -6.31035399247E-10 -6.82397640104E-10 -7.36698975096E-10
-7.94060711854E-10 -8.54608682108E-10 -9.18473403522E-10 -9.85790247215E-10
-1.05669961115E-09 -1.13134709963E-09 -1.20988370903E-09 -1.29246602015E-09
-1.37925639719E-09 -1.47042319375E-09 -1.56614096610E-09 -1.66659069380E-09
-1.77196000817E-09 -1.88244342866E-09 -1.99824260758E-09 -2.11956658328E-09
-2.24663204231E-09 -2.37966359068E-09 -2.51889403459E-09 -2.66456467103E-09
-2.81692558849E-09 -2.97623597822E-09 -3.14276445629E-09 -3.31678939699E-09
-3.49859927784E-09 -3.68849303658E-09 -3.88678044073E-09 -4.09378246998E-09
-4.30983171196E-09 -4.53527277173E-09 -4.77046269573E-09 -5.01577141033E-09
-5.27158217576E-09 -5.53829205590E-09 -5.81631240436E-09 -6.10606936759E-09
-6.40800440545E-09 -6.72257482997E-09 -7.05025436284E-09 -7.39153371237E-09
-7.74692117051E-09 -8.11694323066E-09 -8.50214522699E-09 -8.90309199607E-09
-9.32036856146E-09 -9.75458084220E-09 -1.02063563859E-08 -1.06763451273E-08
-1.11652201735E-08 -1.16736786161E-08 -1.22024423719E-08 -1.27522590525E-08
-1.33239028651E-08 -1.39181755429E-08 -1.45359073098E-08 -1.51779578772E-08
-1.58452174762E-08 -1.65386079254E-08 -1.72590837360E-08 -1.80076332552E-08
-1.87852798494E-08 -1.95930831285E-08 -2.04321402126E-08 -2.13035870432E-08
-2.22085997397E-08 -2.31483960026E-08 -2.41242365663E-08 -2.51374267020E-08
-2.61893177724E-08 -2.72813088414E-08 -2.84148483388E-08 -2.95914357833E-08
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<PP_QFCOEF>
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<PP_PSWFC>
3S 0 2.00 Wavefunction
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3P 1 6.00 Wavefunction
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1.14344899775E-10 1.81757068487E-10 2.66274190401E-10 3.68738688143E-10
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3.02464001503E-04 3.12983596023E-04 3.23867392314E-04 3.35127968168E-04
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