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/usr/share/espresso/pseudo/Fe.pz-nd-rrkjus.UPF is in quantum-espresso-data 5.1+dfsg-3.

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<PP_INFO>
Generated using Andrea Dal Corso code (rrkj3)
Author: Andrea Dal Corso   Generation date: unknown
Info:   Fe LDA 3d7 4s1 RRKJ3 US
    1        The Pseudo was generated with a Scalar-Relativistic Calculation
  1.70000000000E+00    Local Potential cutoff radius
nl pn  l   occ               Rcut            Rcut US             E pseu
4S  1  0  1.00      2.00000000000      2.20000000000      0.00000000000
4S  1  0  0.00      2.00000000000      2.20000000000      0.00000000000
4P  2  1  0.00      2.20000000000      2.30000000000      0.00000000000
4P  2  1  0.00      2.20000000000      2.30000000000      0.00000000000
3D  3  2  7.00      1.60000000000      2.20000000000      0.00000000000
3D  3  2  0.00      1.60000000000      2.20000000000      0.00000000000
</PP_INFO>


<PP_HEADER>
   0                   Version Number
  Fe                   Element
   US                  Ultrasoft pseudopotential
    T                  Nonlinear Core Correction
 SLA  PZ   NOGX NOGC   PZ   Exchange-Correlation functional
    8.00000000000      Z valence
  -41.49093103800      Total energy
  0.0000000  0.0000000 Suggested cutoff for wfc and rho
    2                  Max angular momentum component
  957                  Number of points in mesh
    2    6             Number of Wavefunctions, Number of Projectors
 Wavefunctions         nl  l   occ
                       4S  0  1.00
                       3D  2  7.00
</PP_HEADER>


<PP_MESH>
  <PP_R>
  3.50723832906E-05  3.56024344855E-05  3.61404963783E-05  3.66866900353E-05
  3.72411383524E-05  3.78039660826E-05  3.83752998648E-05  3.89552682513E-05
  3.95440017375E-05  4.01416327909E-05  4.07482958811E-05  4.13641275097E-05
  4.19892662415E-05  4.26238527354E-05  4.32680297760E-05  4.39219423058E-05
  4.45857374579E-05  4.52595645890E-05  4.59435753131E-05  4.66379235355E-05
  4.73427654874E-05  4.80582597613E-05  4.87845673464E-05  4.95218516650E-05
  5.02702786091E-05  5.10300165780E-05  5.18012365158E-05  5.25841119505E-05
  5.33788190322E-05  5.41855365733E-05  5.50044460888E-05  5.58357318367E-05
  5.66795808598E-05  5.75361830277E-05  5.84057310795E-05  5.92884206673E-05
  6.01844503998E-05  6.10940218875E-05  6.20173397879E-05  6.29546118515E-05
  6.39060489682E-05  6.48718652156E-05  6.58522779064E-05  6.68475076375E-05
  6.78577783398E-05  6.88833173285E-05  6.99243553542E-05  7.09811266549E-05
  7.20538690086E-05  7.31428237867E-05  7.42482360088E-05  7.53703543972E-05
  7.65094314333E-05  7.76657234142E-05  7.88394905106E-05  8.00309968250E-05
  8.12405104513E-05  8.24683035351E-05  8.37146523352E-05  8.49798372852E-05
  8.62641430571E-05  8.75678586252E-05  8.88912773309E-05  9.02346969489E-05
  9.15984197545E-05  9.29827525909E-05  9.43880069390E-05  9.58144989868E-05
  9.72625497011E-05  9.87324848994E-05  1.00224635323E-04  1.01739336713E-04
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  <PP_BETA>
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  <PP_BETA>
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 -5.34011094563E-03 -5.43171550575E-03 -5.94143308235E-03 -5.98568633706E-03
 -6.38047564442E-03 -6.65340205454E-03 -6.91942700031E-03 -7.31217895775E-03
 -7.57515642309E-03 -7.96812942382E-03 -8.32123103052E-03 -8.67561028526E-03
 -9.12096435753E-03 -9.55087234396E-03 -9.93024928372E-03 -1.04252897409E-02
 -1.09116732837E-02 -1.13872721401E-02 -1.18864003943E-02 -1.25138199954E-02
 -1.30514375025E-02 -1.36655791039E-02 -1.41990093060E-02 -1.49393322003E-02
 -1.57102816131E-02 -1.62236488988E-02 -1.71088362013E-02 -1.79451421265E-02
 -1.86362915249E-02 -1.95970985678E-02 -2.03578379735E-02 -2.15004518288E-02
 -2.23115220995E-02 -2.34110738918E-02 -2.44937108642E-02 -2.55656743478E-02
 -2.68544564915E-02 -2.79874032656E-02 -2.92859653178E-02 -3.06580820690E-02
 -3.20311163272E-02 -3.35117474442E-02 -3.51290338087E-02 -3.66844080743E-02
 -3.83425070485E-02 -4.01182147564E-02 -4.19974551208E-02 -4.39135217196E-02
 -4.58713485688E-02 -4.80718415195E-02 -5.02008473036E-02 -5.26025094158E-02
 -5.49261131863E-02 -5.74915657623E-02 -6.01256694959E-02 -6.28494827621E-02
 -6.57935597874E-02 -6.88055280311E-02 -7.19085769159E-02 -7.52902966085E-02
 -7.87205264353E-02 -8.22842009910E-02 -8.61183634214E-02 -9.00445090198E-02
 -9.41979897801E-02 -9.84789949578E-02 -1.03052795363E-01 -1.07738445344E-01
 -1.12674056225E-01 -1.17893473303E-01 -1.23268780182E-01 -1.28912675816E-01
 -1.34837781629E-01 -1.41020667240E-01 -1.47485693079E-01 -1.54226973569E-01
 -1.61320886450E-01 -1.68707744355E-01 -1.76435669213E-01 -1.84514439617E-01
 -1.92971297561E-01 -2.01802315676E-01 -2.11063751185E-01 -2.20692874887E-01
 -2.30840959916E-01 -2.41368721429E-01 -2.52438561507E-01 -2.63970110861E-01
 -2.76059114260E-01 -2.88684139770E-01 -3.01885231988E-01 -3.15693192530E-01
 -3.30105195356E-01 -3.45216203479E-01 -3.60980669513E-01 -3.77460528548E-01
 -3.94715908268E-01 -4.12734431720E-01 -4.31564322780E-01 -4.51274726701E-01
 -4.71857290382E-01 -4.93385221167E-01 -5.15876125168E-01 -5.39403562944E-01
 -5.63978498595E-01 -5.89680811887E-01 -6.16535749645E-01 -6.44607664478E-01
 -6.73944123853E-01 -7.04616661660E-01 -7.36659124485E-01 -7.70158221809E-01
 -8.05159951826E-01 -8.41742443692E-01 -8.79969872623E-01 -9.19914336638E-01
 -9.61660162098E-01 -1.00527677438E+00 -1.05085179643E+00 -1.09847093890E+00
 -1.14822490403E+00 -1.20020259081E+00 -1.25451035584E+00 -1.31124257590E+00
 -1.37050641458E+00 -1.43241649366E+00 -1.49708556359E+00 -1.56463095629E+00
 -1.63518213366E+00 -1.70886761502E+00 -1.78582031232E+00 -1.86618521010E+00
 -1.95010769826E+00 -2.03773998585E+00 -2.12924120023E+00 -2.22477550862E+00
 -2.32452178155E+00 -2.42864715554E+00 -2.53734965348E+00 -2.65081462491E+00
 -2.76924734110E+00 -2.89285481788E+00 -3.02185446540E+00 -3.15647153393E+00
 -3.29694296089E+00 -3.44350603120E+00 -3.59641700540E+00 -3.75593800445E+00
 -3.92233723854E+00 -4.09589891383E+00 -4.27691225945E+00 -4.46568146143E+00
 -4.66251820298E+00 -4.86774656796E+00 -5.08170348514E+00 -5.30473262030E+00
 -5.53719692728E+00 -5.77946395936E+00 -6.03191878351E+00 -6.29495583530E+00
 -6.56898559421E+00 -6.85442734783E+00 -7.15171663497E+00 -7.46130099061E+00
 -7.78364169546E+00 -8.11921262432E+00 -8.46850237056E+00 -8.83201155902E+00
 -9.21025603010E+00 -9.60376297104E+00 -1.00130743754E+01 -1.04387449228E+01
 -1.08813413912E+01 -1.13414443469E+01 -1.18196449449E+01 -1.23165469782E+01
 -1.28327657596E+01 -1.33689252592E+01 -1.39256608301E+01 -1.45036156499E+01
 -1.51034409787E+01 -1.57257940126E+01 -1.63713384873E+01 -1.70407404355E+01
 -1.77346692189E+01 -1.84537935460E+01 -1.91987813145E+01 -1.99702962645E+01
 -2.07689947501E+01 -2.15955256280E+01 -2.24505241455E+01 -2.33346107185E+01
 -2.42483869407E+01 -2.51924311509E+01 -2.61672945667E+01 -2.71734967055E+01
 -2.82115202740E+01 -2.92818059414E+01 -3.03847462270E+01 -3.15206793624E+01
 -3.26898827113E+01 -3.38925652566E+01 -3.51288600511E+01 -3.63988156443E+01
 -3.77023877132E+01 -3.90394290777E+01 -4.04096801266E+01 -4.18127577848E+01
 -4.32481446588E+01 -4.47151768821E+01 -4.62130316428E+01 -4.77407140132E+01
 -4.92970432052E+01 -5.08806379659E+01 -5.24899016707E+01 -5.41230066759E+01
 -5.57778778510E+01 -5.74521761372E+01 -5.91432811530E+01 -6.08482736956E+01
 -6.25639176129E+01 -6.42866418885E+01 -6.60125221406E+01 -6.77372624998E+01
 -6.94561774221E+01 -7.11641740856E+01 -7.28557350367E+01 -7.45249019615E+01
 -7.61652602641E+01 -7.77699251115E+01 -7.93315291088E+01 -8.08422120366E+01
 -8.22936130755E+01 -8.36768658408E+01 -8.49825969171E+01 -8.62009282485E+01
 -8.73214840597E+01 -8.83334028929E+01 -8.92253555248E+01 -8.99855692970E+01
 -9.06018597904E+01 -9.10616706203E+01 -9.13521220356E+01 -9.14600694189E+01
 -9.13721723172E+01 -9.10749751805E+01 -9.05550003507E+01 -8.97988545998E+01
 -8.87933495638E+01 -8.75256374139E+01 -8.59833619275E+01 -8.41548259757E+01
 -8.20291755937E+01 -7.95966012045E+01 -7.68485556054E+01 -7.37779891256E+01
 -7.03796007165E+01 -6.66501047258E+01 -6.25885115580E+01 -5.81964205430E+01
 -5.34783226830E+01 -4.84419100260E+01 -4.30983880837E+01 -3.74627865145E+01
 -3.15542629247E+01 -2.53963930151E+01 -1.90174400217E+01 -1.24505947308E+01
 -5.73417657415E+00  1.08821510082E+00  7.96761143554E+00  1.48496595792E+01
  2.16746974652E+01  2.83779335926E+01  3.48897483605E+01  4.11361344606E+01
  4.70392947494E+01  5.25184164688E+01  5.74906410563E+01  6.18722486997E+01
  6.55800766548E+01  6.85331890424E+01  7.06548150517E+01  7.18745701482E+01
  7.21309724931E+01  7.13742634731E+01  6.95695371344E+01  6.67001782627E+01
  6.27716031071E+01  5.78169652730E+01  5.19042994941E+01  4.51333738309E+01
  3.76376615458E+01  2.95879641103E+01  2.11959928369E+01  1.27178205709E+01
  4.45709850331E+00 -3.23208484922E+00 -9.94284764483E+00 -1.52137919025E+01
 -1.85284004755E+01 -1.93127974811E+01 -1.69607099910E+01 -1.06088655858E+01
 -1.34408061761E+00  1.36505020767E-01 -9.85899184130E-03  4.47800303026E-03
  2.94446894525E-03  2.98085863338E-03  2.86449849646E-03  2.76548701053E-03
  2.66698337646E-03  2.57060215296E-03  2.47613342348E-03
  </PP_BETA>
  <PP_DIJ>
    9                  Number of nonzero Dij
    1    1  3.48374417658E-01
    1    2 -3.47249130018E-01
    2    2  3.45825983415E-01
    3    3  7.63478688865E-02
    3    4  1.14855504178E-01
    4    4  1.72694473444E-01
    5    5  2.92089445119E+00
    5    6  2.26311305361E+00
    6    6  1.75291696453E+00
  </PP_DIJ>
  <PP_QIJ>
    0     nqf. If not zero, Qij's inside rinner are computed using qfcoef's
    1    1    0        i  j  (l(j))
 -2.73191389576E-02    Q_int
  2.72280817303E-10  2.80573002643E-10  2.89117722618E-10  2.97922668055E-10
  3.06995763997E-10  3.16345176844E-10  3.25979321697E-10  3.35906869937E-10
  3.46136757027E-10  3.56678190556E-10  3.67540658524E-10  3.78733937886E-10
  3.90268103348E-10  4.02153536436E-10  4.14400934844E-10  4.27021322054E-10
  4.40026057267E-10  4.53426845621E-10  4.67235748731E-10  4.81465195539E-10
  4.96127993508E-10  5.11237340145E-10  5.26806834880E-10  5.42850491309E-10
  5.59382749805E-10  5.76418490514E-10  5.93973046753E-10  6.12062218805E-10
  6.30702288145E-10  6.49910032092E-10  6.69702738910E-10  6.90098223370E-10
  7.11114842784E-10  7.32771513524E-10  7.55087728056E-10  7.78083572475E-10
  8.01779744592E-10  8.26197572559E-10  8.51359034066E-10  8.77286776126E-10
  9.04004135452E-10  9.31535159469E-10  9.59904627953E-10  9.89138075338E-10
  1.01926181370E-09  1.05030295642E-09  1.08228944263E-09  1.11525006232E-09
  1.14921448226E-09  1.18421327273E-09  1.22027793499E-09  1.25744092966E-09
  1.29573570595E-09  1.33519673173E-09  1.37585952458E-09  1.41776068374E-09
  1.46093792310E-09  1.50543010506E-09  1.55127727559E-09  1.59852070023E-09
  1.64720290123E-09  1.69736769585E-09  1.74906023579E-09  1.80232704780E-09
  1.85721607561E-09  1.91377672303E-09  1.97205989844E-09  2.03211806062E-09
  2.09400526596E-09  2.15777721710E-09  2.22349131309E-09  2.29120670103E-09
  2.36098432932E-09  2.43288700251E-09  2.50697943784E-09  2.58332832347E-09
  2.66200237855E-09  2.74307241499E-09  2.82661140128E-09  2.91269452811E-09
  3.00139927607E-09  3.09280548539E-09  3.18699542780E-09  3.28405388056E-09
  3.38406820278E-09  3.48712841407E-09  3.59332727553E-09  3.70276037324E-09
  3.81552620435E-09  3.93172626564E-09  4.05146514495E-09  4.17485061531E-09
  4.30199373190E-09  4.43300893203E-09  4.56801413815E-09  4.70713086398E-09
  4.85048432388E-09  4.99820354555E-09  5.15042148617E-09  5.30727515206E-09
  5.46890572200E-09  5.63545867430E-09  5.80708391773E-09  5.98393592648E-09
  6.16617387915E-09  6.35396180205E-09  6.54746871684E-09  6.74686879265E-09
  6.95234150282E-09  7.16407178649E-09  7.38225021500E-09  7.60707316345E-09
  7.83874298747E-09  8.07746820529E-09  8.32346368549E-09  8.57695084032E-09
  8.83815782506E-09  9.10731974334E-09  9.38467885873E-09  9.67048481282E-09
  9.96499484991E-09  1.02684740485E-08  1.05811955601E-08  1.09034408545E-08
  1.12354999740E-08  1.15776717936E-08  1.19302642906E-08  1.22935948215E-08
  1.26679904077E-08  1.30537880299E-08  1.34513349313E-08  1.38609889303E-08
  1.42831187425E-08  1.47181043123E-08  1.51663371554E-08  1.56282207107E-08
  1.61041707035E-08  1.65946155202E-08  1.70999965929E-08  1.76207687978E-08
  1.81574008638E-08  1.87103757946E-08  1.92801913038E-08  1.98673602623E-08
  2.04724111604E-08  2.10958885831E-08  2.17383537004E-08  2.24003847725E-08
  2.30825776703E-08  2.37855464112E-08  2.45099237126E-08  2.52563615605E-08
  2.60255317970E-08  2.68181267246E-08  2.76348597296E-08  2.84764659238E-08
  2.93437028066E-08  3.02373509465E-08  3.11582146835E-08  3.21071228536E-08
  3.30849295342E-08  3.40925148131E-08  3.51307855808E-08  3.62006763463E-08
  3.73031500785E-08  3.84391990728E-08  3.96098458446E-08  4.08161440488E-08
  4.20591794290E-08  4.33400707942E-08  4.46599710259E-08  4.60200681159E-08
  4.74215862353E-08  4.88657868364E-08  5.03539697883E-08  5.18874745462E-08
  5.34676813579E-08  5.50960125052E-08  5.67739335845E-08  5.85029548259E-08
  6.02846324520E-08  6.21205700792E-08  6.40124201607E-08  6.59618854736E-08
  6.79707206517E-08  7.00407337647E-08  7.21737879454E-08  7.43718030669E-08
  7.66367574701E-08  7.89706897444E-08  8.13757005627E-08  8.38539545719E-08
  8.64076823411E-08  8.90391823694E-08  9.17508231541E-08  9.45450453231E-08
  9.74243638309E-08  1.00391370222E-07  1.03448734965E-07  1.06599209853E-07
  1.09845630484E-07  1.13190918808E-07  1.16638085762E-07  1.20190233979E-07
  1.23850560575E-07  1.27622360034E-07  1.31509027167E-07  1.35514060173E-07
  1.39641063780E-07  1.43893752496E-07  1.48275953950E-07  1.52791612336E-07
  1.57444791960E-07  1.62239680906E-07  1.67180594797E-07  1.72271980682E-07
  1.77518421040E-07  1.82924637900E-07  1.88495497096E-07  1.94236012642E-07
  2.00151351246E-07  2.06246836960E-07  2.12527955969E-07  2.19000361534E-07
  2.25669879075E-07  2.32542511412E-07  2.39624444174E-07  2.46922051359E-07
  2.54441901075E-07  2.62190761447E-07  2.70175606712E-07  2.78403623491E-07
  2.86882217261E-07  2.95619019014E-07  3.04621892130E-07  3.13898939449E-07
  3.23458510564E-07  3.33309209338E-07  3.43459901641E-07  3.53919723333E-07
  3.64698088483E-07  3.75804697840E-07  3.87249547567E-07  3.99042938229E-07
  4.11195484068E-07  4.23718122553E-07  4.36622124220E-07  4.49919102817E-07
  4.63621025752E-07  4.77740224862E-07  4.92289407512E-07  5.07281668026E-07
  5.22730499471E-07  5.38649805799E-07  5.55053914356E-07  5.71957588775E-07
  5.89376042260E-07  6.07324951273E-07  6.25820469639E-07  6.44879243085E-07
  6.64518424210E-07  6.84755687923E-07  7.05609247344E-07  7.27097870189E-07
  7.49240895657E-07  7.72058251832E-07  7.95570473605E-07  8.19798721156E-07
  8.44764798985E-07  8.70491175532E-07  8.97001003391E-07  9.24318140135E-07
  9.52467169779E-07  9.81473424899E-07  1.01136300942E-06  1.04216282209E-06
  1.07390058069E-06  1.10660484695E-06  1.14030505227E-06  1.17503152416E-06
  1.21081551352E-06  1.24768922280E-06  1.28568583490E-06  1.32483954303E-06
  1.36518558151E-06  1.40676025740E-06  1.44960098319E-06  1.49374631042E-06
  1.53923596438E-06  1.58611087982E-06  1.63441323776E-06  1.68418650340E-06
  1.73547546526E-06  1.78832627541E-06  1.84278649098E-06  1.89890511691E-06
  1.95673265004E-06  2.01632112449E-06  2.07772415843E-06  2.14099700232E-06
  2.20619658854E-06  2.27338158261E-06  2.34261243589E-06  2.41395143994E-06
  2.48746278252E-06  2.56321260525E-06  2.64126906308E-06  2.72170238556E-06
  2.80458493992E-06  2.88999129613E-06  2.97799829390E-06  3.06868511172E-06
  3.16213333802E-06  3.25842704447E-06  3.35765286150E-06  3.45990005617E-06
  3.56526061229E-06  3.67382931313E-06  3.78570382648E-06  3.90098479243E-06
  4.01977591373E-06  4.14218404893E-06  4.26831930834E-06  4.39829515288E-06
  4.53222849599E-06  4.67023980856E-06  4.81245322710E-06  4.95899666516E-06
  5.11000192818E-06  5.26560483173E-06  5.42594532342E-06  5.59116760852E-06
  5.76142027928E-06  5.93685644831E-06  6.11763388589E-06  6.30391516153E-06
  6.49586778975E-06  6.69366438031E-06  6.89748279302E-06  7.10750629721E-06
  7.32392373598E-06  7.54692969556E-06  7.77672467965E-06  8.01351528913E-06
  8.25751440721E-06  8.50894139012E-06  8.76802226363E-06  9.03498992550E-06
  9.31008435407E-06  9.59355282306E-06  9.88565012307E-06  1.01866387895E-05
  1.04967893377E-05  1.08163805048E-05  1.11456994994E-05  1.14850422579E-05
  1.18347137100E-05  1.21950280506E-05  1.25663090211E-05  1.29488901986E-05
  1.33431152938E-05  1.37493384587E-05  1.41679246021E-05  1.45992497161E-05
  1.50437012113E-05  1.55016782629E-05  1.59735921670E-05  1.64598667068E-05
  1.69609385316E-05  1.74772575449E-05  1.80092873067E-05  1.85575054453E-05
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</PP_NONLOCAL>


<PP_PSWFC>
4S    0  1.00          Wavefunction
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  1.65360093725E-14
3D    2  7.00          Wavefunction
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