Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.23000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4P 4 1 6.00 0.00000000000 1.53000000000 -4.14671644400 4D 4 2 9.50 0.00000000000 1.63000000000 -0.66255030500 5S 5 0 0.00 0.00000000000 2.50000000000 -0.50906092000 5P 5 1 0.00 0.00000000000 1.53000000000 -0.21036727400 0 Version Number Pd Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 16.00000000000 Z valence -198.07557947600 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 887 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4P 1 6.00 4D 2 9.50 5S 0 0.00 5P 1 0.00 0.00000000000E+00 1.24392416006E-09 2.51933841015E-09 3.82703992570E-09 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2.12150870837E-06 2.28634783302E-06 2.46399418318E-06 2.65544281436E-06 2.86176351194E-06 3.08411096518E-06 3.32372749980E-06 3.58195330825E-06 3.86022926155E-06 4.16011318964E-06 4.48327568219E-06 4.83152278106E-06 5.20679732355E-06 5.61119042407E-06 6.04695953884E-06 6.51652920657E-06 7.02251848738E-06 7.56773967631E-06 8.15522972084E-06 8.78825319438E-06 9.47032840703E-06 1.02052434591E-05 1.09970762019E-05 1.18502192089E-05 1.27693982013E-05 1.37597057942E-05 1.48266192181E-05 1.59760364488E-05 1.72143073681E-05 1.85482621747E-05 1.99852545174E-05 2.15331997333E-05 2.32006048105E-05 2.49966362777E-05 2.69311452038E-05 2.90147314110E-05 3.12587981469E-05 3.36756036321E-05 3.62783331249E-05 3.90811658890E-05 4.20993382862E-05 4.53492321603E-05 4.88484538428E-05 5.26159173003E-05 5.66719541821E-05 6.10383920495E-05 6.57386820004E-05 7.07980015605E-05 7.62433825630E-05 8.21038433617E-05 8.84105068195E-05 9.51967873637E-05 1.02498500747E-04 1.10354064365E-04 1.18804655469E-04 1.27894399878E-04 1.37670567914E-04 1.48183785776E-04 1.59488241396E-04 1.71641933639E-04 1.84706887112E-04 1.98749433582E-04 2.13840440413E-04 2.30055636053E-04 2.47475836181E-04 2.66187298905E-04 2.86281984806E-04 3.07857914027E-04 3.31019464244E-04 3.55877708709E-04 3.82550767867E-04 4.11164140518E-04 4.41851016792E-04 4.74752687576E-04 5.10018792830E-04 5.47807689476E-04 5.88286756830E-04 6.31632645263E-04 6.78031546807E-04 7.27679416072E-04 7.80782095562E-04 8.37555451405E-04 8.98225374247E-04 9.63027751511E-04 1.03220823280E-03 1.10602202695E-03 1.18473336634E-03 1.26861494645E-03 1.35794709815E-03 1.45301668695E-03 1.55411586684E-03 1.66154033991E-03 1.77558743029E-03 1.89655363229E-03 2.02473176092E-03 2.16040750824E-03 2.30385546201E-03 2.45533442338E-03 2.61508195622E-03 2.78330805863E-03 2.96018802408E-03 3.14585399627E-03 3.34038562034E-03 3.54379920755E-03 3.75603555807E-03 3.97694621959E-03 4.20627798830E-03 4.44365563548E-03 4.68856260704E-03 4.94031953460E-03 5.19806051316E-03 5.46070702936E-03 5.72693915172E-03 5.99516440857E-03 6.26348372524E-03 6.52965480770E-03 6.79105294418E-03 7.04462909846E-03 7.28686595819E-03 7.51373175916E-03 7.72063278585E-03 7.90236498646E-03 8.05306541166E-03 8.16616496418E-03 8.23434351334E-03 8.24948903607E-03 8.20266332520E-03 8.08407621217E-03 7.88307201069E-03 7.58813105819E-03 7.18689142875E-03 6.66619502135E-03 6.01216401372E-03 5.21031429528E-03 4.24571240448E-03 3.10318473516E-03 1.76758694634E-03 2.24143002960E-04 -1.54113654197E-03 -3.54094763151E-03 -5.78608807316E-03 -8.28474690992E-03 -1.10416814102E-02 -1.40572786054E-02 -1.73265015549E-02 -2.08377274574E-02 -2.45714918140E-02 -2.84991633212E-02 -3.25815886087E-02 -3.67677602272E-02 -4.09935846013E-02 -4.51808493854E-02 -4.92365181326E-02 -5.30525166225E-02 -5.65062063706E-02 -5.94617866705E-02 -6.17729002106E-02 -6.32867582345E-02 -6.38501289645E-02 -6.33175451146E-02 -6.15620796002E-02 -5.84889851166E-02 -5.40523915576E-02 -4.82750760170E-02 -4.12710292251E-02 -3.32701327057E-02 -2.46436656239E-02 -1.59285731871E-02 -7.84740786498E-03 -1.31956915884E-03 2.54203657705E-03 2.45651276919E-03 -2.96798481790E-03 -1.51347658629E-02 -3.53048100766E-02 -6.43771361298E-02 -1.02594417557E-01 -1.49171251597E-01 -2.01854428083E-01 -2.56444519954E-01 -3.06339016536E-01 -3.42201822923E-01 -3.51924214019E-01 -3.21117246647E-01 -2.34457643247E-01 -7.82775195490E-02 1.55202780489E-01 4.61740721463E-01 8.17239320850E-01 1.16950325190E+00 1.43310995684E+00 1.49518220581E+00 1.24800806923E+00 6.75500757443E-01 7.19869922502E-02 2.37180350660E-01 7.62973635086E-01 1.14961080079E+00 1.41586337541E+00 1.55542338838E+00 1.57235192290E+00 1.47466737315E+00 1.28005535038E+00 1.01172995842E+00 7.03904238866E-01 3.96916177635E-01 1.41969679506E-01 -4.87402421957E-03 -2.49194278261E-03 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 9 Number of nonzero Dij 1 1 3.40395184546E+00 1 2 -3.15494846387E+00 2 2 5.22035990163E+00 3 3 -5.44723687781E+00 3 4 4.84167513222E-01 4 4 3.64662419351E+00 5 5 6.70736683720E-01 5 6 -2.30114212807E+00 6 6 1.26080356179E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.13000000000E+00 2 1.13000000000E+00 3 1.13000000000E+00 4 1.13000000000E+00 5 1.13000000000E+00 1 1 0 i j (l(j)) -1.13841014917E-01 Q_int 0.00000000000E+00 -3.44466184466E-18 -1.41296630276E-17 -3.26050428041E-17 -5.94535683727E-17 -9.52925274700E-17 -1.40775615774E-16 -1.96594924054E-16 -2.63483030248E-16 -3.42215201938E-16 -4.33611714945E-16 -5.38540294100E-16 -6.57918682515E-16 -7.92717346048E-16 -9.43962319967E-16 -1.11273820520E-15 -1.30019132193E-15 -1.50753302870E-15 -1.73604321562E-15 -1.98707398065E-15 -2.26205349852E-15 -2.56249009227E-15 -2.88997651776E-15 -3.24619447241E-15 -3.63291933958E-15 -4.05202518090E-15 -4.50548998933E-15 -4.99540121648E-15 -5.52396158827E-15 -6.09349522406E-15 -6.70645407466E-15 -7.36542469592E-15 -8.07313537518E-15 -8.83246362872E-15 -9.64644408955E-15 -1.05182768055E-14 -1.14513359691E-14 -1.24491791009E-14 -1.35155567109E-14 -1.46544224608E-14 -1.58699438555E-14 -1.71665134882E-14 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