Generated using Andrea Dal Corso code (rrkj3) Author: Andrea Dal Corso Generation date: unknown Info: Ag LDA 4d10 5s1 5p0 RRKJ3 Ultrasoft 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.30000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 5P 2 1 0.00 2.50000000000 2.50000000000 0.00000000000 4D 3 2 10.00 1.80000000000 2.40000000000 0.00000000000 4D 3 2 0.00 1.80000000000 2.40000000000 0.00000000000 5S 1 0 1.00 2.30000000000 2.30000000000 0.00000000000 0 Version Number Ag Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 11.00000000000 Z valence -73.46152154700 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 1295 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 1.00 1.43360574449E-04 1.44801372175E-04 1.46256650159E-04 1.47726553931E-04 1.49211230481E-04 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3.25767443377E+01 3.17800205021E+01 3.09308547024E+01 3.00293016204E+01 2.90755918405E+01 2.80701423233E+01 2.70135665848E+01 2.59066845373E+01 2.47505318389E+01 2.35463686666E+01 2.22956877805E+01 2.10002217652E+01 1.96619492779E+01 1.82831002267E+01 1.68661597068E+01 1.54138705442E+01 1.39292343370E+01 1.24155108582E+01 1.08762156408E+01 9.31511570267E+00 7.73622320177E+00 6.14378699431E+00 4.54228196235E+00 2.93639604777E+00 1.33101495195E+00 -2.68795557999E-01 -1.85780969086E+00 -3.43066406410E+00 -4.98188240578E+00 -6.50590247795E+00 -7.99710509671E+00 -9.44984506234E+00 -1.08584838393E+01 -1.22174237377E+01 -1.35211433173E+01 -1.47642337574E+01 -1.59414358127E+01 -1.70476770440E+01 -1.80781089351E+01 -1.90281435065E+01 -1.98934890463E+01 -2.06701845812E+01 -2.13546326926E+01 -2.19436303679E+01 -2.24343975610E+01 -2.28246032191E+01 -2.31123885769E+01 -2.32963876277E+01 -2.33757447087E+01 -2.33501293192E+01 -2.32197483171E+01 -2.29853558135E+01 -2.26482611896E+01 -2.22103357855E+01 -2.16740189482E+01 -2.10423242641E+01 -2.03188469346E+01 -1.95077733930E+01 -1.86138944150E+01 -1.76426231306E+01 -1.66000195299E+01 -1.54928232681E+01 -1.43284968551E+01 -1.31152816575E+01 -1.18622696032E+01 -1.05794940983E+01 -9.27804448609E+00 -7.97020943498E+00 -6.66965609603E+00 -5.39165366256E+00 -4.15335231767E+00 -2.97413150006E+00 -1.87603506363E+00 -8.84315369695E-01 -2.81135152902E-02 6.58688118886E-01 1.13642343076E+00 1.35899892709E+00 1.27918646801E+00 8.31385763838E-01 1.07692933248E-01 -1.11877429214E-02 6.51579568250E-04 -5.17970801697E-04 -3.93005233004E-04 -3.96954761332E-04 -3.88171507096E-04 -3.80758409149E-04 -3.73318354768E-04 -3.65996061590E-04 -3.58783144670E-04 4 Number of nonzero Dij 1 1 2.31684215465E-02 2 2 -2.97765285896E+00 2 3 2.82248507834E+00 3 3 -2.67860430736E+00 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 1 i j (l(j)) -1.38593107000E-18 Q_int -4.34517707878E-35 2.06303561042E-35 3.62134661894E-37 3.33747162761E-35 -2.49288110006E-35 -1.53903644462E-34 2.78489861390E-35 1.42998158504E-34 1.97106740746E-34 -6.85065833954E-36 3.34687583960E-35 7.39106207395E-36 -9.97299155126E-36 -7.49690321556E-36 -2.14367927715E-34 -7.14223074893E-35 -4.68324563779E-35 -1.03039209175E-35 2.14337571268E-35 6.21054578388E-35 6.63263744221E-35 6.56653992531E-35 3.71922369958E-35 9.52667239173E-35 -1.13140822271E-35 1.97004838565E-35 3.61008813937E-35 1.09282249408E-35 9.55243885205E-35 -4.06343742976E-35 -3.54697227442E-35 -1.85294913307E-35 1.74463808259E-34 1.55712626407E-35 -1.45308901607E-34 -2.78833920990E-36 -7.25898745282E-35 1.33208323592E-34 -1.66432319126E-34 -7.08206350368E-35 -1.20318434350E-35 1.03138731346E-34 -1.26009751818E-34 -2.58923797585E-36 -1.68495930151E-34 -1.16238620183E-34 -1.27215739025E-34 3.27905091811E-36 7.31765616242E-34 -3.72174819940E-34 -1.59123379015E-34 2.54135956843E-34 -1.77917312383E-34 1.07683842935E-34 -1.51909757368E-34 -3.05433174226E-34 -1.45105701894E-34 -2.55126679222E-34 -2.88661316598E-34 -2.50041980127E-34 8.25940495133E-36 -2.93533665769E-34 -2.50597780290E-34 -7.66434504141E-35 -2.75625402825E-34 -2.58962223464E-34 -1.89647455596E-34 7.33244813385E-34 3.18895697702E-34 -6.34840592508E-34 -2.41160255407E-33 2.09303980647E-34 2.88925980365E-34 1.22154293361E-34 2.31364613084E-34 3.24900047179E-34 -1.87322742779E-34 3.35357368291E-34 2.04594474198E-34 6.73112669425E-34 -6.72306592319E-34 3.76772050759E-34 5.59802334644E-35 1.75991698915E-34 -1.36015064863E-33 -7.19374220920E-34 6.04576280266E-34 5.44073900478E-34 9.39790568581E-35 7.64580217023E-34 -9.29458722468E-34 -7.11189927301E-34 -2.90759341455E-34 9.44757259843E-34 -1.17607204820E-33 5.73568649795E-35 7.66416063817E-33 7.11560486287E-34 8.51235399550E-34 9.06020370226E-33 1.68509665130E-34 -5.97827197238E-33 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-5.67496718790E-33 5.67370537016E-33 -2.07213517498E-33 -2.17039289703E-32 -3.17568891954E-35 2.34148696791E-32 -2.38550726921E-32 1.65503146810E-32 -1.07755545521E-32 -2.11686823020E-32 1.74508824341E-33 -1.37619990497E-32 2.06393043933E-32 -2.29909134280E-32 2.21906134465E-32 1.12425803674E-32 -2.24744040560E-32 1.74727305537E-32 1.94374702758E-32 4.54377521158E-32 1.63501263077E-32 4.21861326412E-32 4.87823635609E-32 -3.46925211072E-32 2.70508507763E-32 -4.42328600822E-32 -3.15804674434E-33 2.16425937139E-32 1.24695393261E-32 -6.59561797430E-33 2.01819624190E-31 -1.73651797151E-31 -3.74553405424E-32 4.30353596589E-32 2.71817926095E-32 7.65609713778E-32 -6.55294420476E-32 8.21024113857E-32 -3.26456631620E-32 4.64814363866E-32 4.97793411902E-32 9.16145901108E-32 5.96003889725E-32 7.20147149288E-32 6.93090256568E-32 4.42060600524E-32 -3.14911185224E-32 -6.79214493845E-32 4.12670766289E-32 -6.27823431016E-31 6.93042234190E-32 -5.62611366656E-32 -1.65456801459E-31 1.80292980108E-32 4.96436019735E-31 -1.16607038662E-31 1.54340603834E-31 1.50037582470E-31 -9.01301700169E-32 1.43355079872E-31 -1.42302589276E-31 1.89656291863E-32 -1.15338857884E-31 1.92574913419E-31 2.61379647936E-32 -4.19011254392E-32 6.82541956911E-32 -3.70561109267E-32 -1.33607220897E-32 7.51687157164E-32 -1.21837052755E-31 -2.75445274335E-31 2.87892644658E-31 3.65565768747E-31 3.84651371764E-31 -3.32906118913E-31 3.22569520039E-31 2.94638153228E-32 -2.24239514497E-30 -2.80391860501E-31 2.07142002732E-31 5.15354182559E-33 -3.12581170631E-31 -2.01286377285E-30 -1.05611739377E-31 -6.95737823978E-31 2.90936054398E-30 -3.83265505601E-31 5.93271253482E-31 4.70329330413E-31 -7.74409791647E-31 4.32851497035E-31 -3.25063537082E-30 -8.89601076926E-33 -2.53170372043E-30 6.06898206674E-31 -4.36157343612E-31 -2.93332121284E-31 2.82239874236E-30 -4.51215429634E-31 -2.86238639788E-30 5.52525958932E-31 -3.48125744425E-32 -7.68121824036E-31 1.37177584431E-30 -7.15514759212E-31 -1.03069721625E-31 1.04867136592E-30 -1.25694233132E-30 -6.78047759800E-31 -1.19686499240E-30 1.13283790660E-30 -1.26337886295E-30 1.56077122518E-30 -9.63282303987E-31 2.89000869444E-31 -1.76074197476E-31 7.00139987272E-31 -1.16762626225E-30 -2.54635329684E-30 -2.71337338257E-31 -2.49360950480E-30 2.48632024591E-31 -2.48164492351E-30 -7.05915042299E-30 -1.05715784185E-29 -7.36021898504E-30 1.19851483591E-29 9.26992394931E-30 1.40390844057E-29 -1.11595207938E-29 -1.38040568179E-30 -1.08151960452E-29 -1.00207586675E-30 1.32158822736E-29 2.75485889433E-30 3.09688116677E-30 4.26312297045E-30 5.83508635948E-30 -7.68911817725E-31 -5.59102410013E-31 -1.84931348476E-31 -9.27063702108E-31 5.14481346863E-30 4.42178178293E-30 6.20951761403E-30 -3.58591158250E-30 -5.55998747822E-30 6.11150696562E-30 -1.17429034155E-30 3.86336103473E-30 -4.02601570901E-30 5.05249016083E-30 -1.24725067996E-29 -4.95128391597E-31 6.61965178018E-31 -1.13600704474E-30 9.29296622514E-30 1.09494695898E-29 3.95826211011E-30 -1.07241520983E-29 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