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 1.60000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4S 4 0 2.00 0.00000000000 1.50000000000 -7.26885462200 4P 4 1 6.00 0.00000000000 1.50000000000 -4.59074162000 4D 4 2 10.00 0.00000000000 1.70000000000 -0.83647274900 5S 5 0 0.50 0.00000000000 1.50000000000 -0.56649850300 5P 5 1 0.00 0.00000000000 1.50000000000 -0.23894697400 0 Version Number Ag Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 19.00000000000 Z valence -295.09748109800 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 887 Number of points in mesh 5 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4S 0 2.00 4P 1 6.00 4D 2 10.00 5S 0 0.50 5P 1 0.00 0.00000000000E+00 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-6.24299119082E-10 -6.39901419918E-10 -6.55801766372E-10 -6.72193119427E-10 -6.88866335734E-10 -7.06002998613E-10 -7.23582647472E-10 -7.41476223980E-10 -7.59924449019E-10 -7.78665857736E-10 -7.97960241863E-10 -8.17670230978E-10 -8.37866982061E-10 -8.58434402711E-10 -8.79615897644E-10 -9.01190811021E-10 -9.23279147463E-10 -9.45962248302E-10 -9.68944378833E-10 -9.92689707439E-10 -1.01680213897E-09 -1.04151135355E-09 -1.06681509061E-09 -1.09251547435E-09 -1.11890148008E-09 -1.14590007801E-09 -1.17327451190E-09 -1.20144705010E-09 -1.23006320840E-09 -1.25928019287E-09 -1.28914475188E-09 -1.31955322223E-09 -1.35069240750E-09 -1.38215881437E-09 -1.41447723759E-09 -1.44731397083E-09 -1.48071779625E-09 -1.51483865024E-09 -1.54932889693E-09 -1.58460126438E-09 -1.62041392766E-09 -1.65672380616E-09 -1.69374241235E-09 -1.73102079569E-09 -1.76912980600E-09 -1.80757234697E-09 -1.84656481487E-09 -1.88604945386E-09 -1.92577654554E-09 -1.96612035580E-09 -2.00673089756E-09 -2.04761603881E-09 -2.08888465703E-09 -2.13025519936E-09 -2.17173872109E-09 -2.21340007339E-09 -2.25523234421E-09 -2.29671812229E-09 -2.33807592154E-09 -2.37943844370E-09 -2.42015561201E-09 -2.46055156796E-09 -2.50042220301E-09 -2.53919857004E-09 -2.57751326202E-09 -2.61436698379E-09 -2.65025938461E-09 -2.68460381636E-09 -2.71703036404E-09 -2.74779997245E-09 -2.77636888180E-09 -2.80234444239E-09 -2.82557512360E-09 -2.84579780727E-09 -2.86214925767E-09 -2.87510618063E-09 -2.88323945795E-09 -2.88700187081E-09 -2.88546199092E-09 -2.87732812827E-09 -2.86368471584E-09 -2.84223648501E-09 -2.81320592439E-09 -2.77587849565E-09 -2.72850375247E-09 -2.67087626621E-09 -2.60269154685E-09 -2.52117633836E-09 -2.42686560426E-09 -2.31749013031E-09 -2.19188822282E-09 -2.04930072346E-09 -1.88719864427E-09 -1.70477076065E-09 -1.49912355998E-09 -1.26938509789E-09 -1.01295203060E-09 -7.27453763673E-10 -4.10784749769E-10 -5.92936044685E-11 3.28408619130E-10 7.57252296635E-10 1.22844290587E-09 1.74775834665E-09 2.31789357269E-09 2.94357724452E-09 3.62916360787E-09 4.37943316462E-09 5.19998413342E-09 6.09767007776E-09 7.07635506868E-09 8.14415938751E-09 9.30933555241E-09 1.05771672936E-08 1.19590912269E-08 1.34615269939E-08 1.50957532190E-08 1.68725235004E-08 1.88023694179E-08 2.08977534602E-08 2.31741654862E-08 2.56420961415E-08 2.83198596509E-08 3.12232798233E-08 3.43710348165E-08 3.77820265946E-08 4.14762287297E-08 4.54783567251E-08 4.98105606696E-08 5.45014938508E-08 5.95777856228E-08 6.50695351657E-08 7.10117147464E-08 7.74373512227E-08 8.43893763499E-08 9.19024018293E-08 1.00025973474E-07 1.08806747844E-07 1.18295452674E-07 1.28550282354E-07 1.39630324855E-07 1.51597831534E-07 1.64527724075E-07 1.78489231123E-07 1.93573103804E-07 2.09856738030E-07 2.27440294174E-07 2.46424619185E-07 2.66919129802E-07 2.89045009903E-07 3.12924058845E-07 3.38699927397E-07 3.66518288360E-07 3.96537380471E-07 4.28935225750E-07 4.63890780654E-07 5.01609102359E-07 5.42305193968E-07 5.86209036739E-07 6.33578301933E-07 6.84676235405E-07 7.39797982374E-07 7.99258523459E-07 8.63393177521E-07 9.32572834003E-07 1.00718521235E-06 1.08766114646E-06 1.17444952711E-06 1.26805116876E-06 1.36899446339E-06 1.47785309301E-06 1.59524098340E-06 1.72183139456E-06 1.85832985533E-06 2.00552035722E-06 2.16423576379E-06 2.33536179392E-06 2.51988390280E-06 2.71883060298E-06 2.93333810611E-06 3.16461206111E-06 3.41395337638E-06 3.68278805500E-06 3.97260956191E-06 4.28507629903E-06 4.62193381554E-06 4.98509231548E-06 5.37659026490E-06 5.79863824406E-06 6.25362288186E-06 6.74408734725E-06 7.27280853330E-06 7.84276033518E-06 8.45713780340E-06 9.11941976908E-06 9.83330708825E-06 1.06028255739E-05 1.14323033428E-05 1.23263833542E-05 1.32901143860E-05 1.43288801984E-05 1.54485305213E-05 1.66553358000E-05 1.79560759381E-05 1.93580408178E-05 2.08690821362E-05 2.24976753179E-05 2.42529354026E-05 2.61446999420E-05 2.81835509918E-05 3.03808899406E-05 3.27490104106E-05 3.53011518027E-05 3.80515639755E-05 4.10156125826E-05 4.42098418204E-05 4.76520614966E-05 5.13614825255E-05 5.53587442915E-05 5.96661444973E-05 6.43076216610E-05 6.93090197527E-05 7.46981150312E-05 8.05048363261E-05 8.67614544454E-05 9.35026011944E-05 1.00765671791E-04 1.08590872562E-04 1.17021463350E-04 1.26104064152E-04 1.35888800243E-04 1.46429599091E-04 1.57784588657E-04 1.70016196425E-04 1.83191669165E-04 1.97383298654E-04 2.12668872192E-04 2.29132083504E-04 2.46862847264E-04 2.65957997027E-04 2.86521452207E-04 3.08665113484E-04 3.32509145080E-04 3.58182734725E-04 3.85824689670E-04 4.15584104370E-04 4.47621203828E-04 4.82108005829E-04 5.19229202349E-04 5.59183184491E-04 6.02182667436E-04 6.48456135609E-04 6.98248513228E-04 7.51822631602E-04 8.09460206803E-04 8.71463187854E-04 9.38155189508E-04 1.00988285997E-03 1.08701729569E-03 1.16995592577E-03 1.25912373163E-03 1.35497547799E-03 1.45799720270E-03 1.56870825217E-03 1.68766346979E-03 1.81545479547E-03 1.95271401911E-03 2.10011450872E-03 2.25837377715E-03 2.42825583062E-03 2.61057322495E-03 2.80618998537E-03 3.01602353087E-03 3.24104755636E-03 3.48229387392E-03 3.74085521201E-03 4.01788705735E-03 4.31460986434E-03 4.63231087054E-03 4.97234576538E-03 5.33613954082E-03 5.72518790644E-03 6.14105722162E-03 6.58538410902E-03 7.05987515111E-03 7.56630369948E-03 8.10650815685E-03 8.68238724408E-03 9.29589397755E-03 9.94902917537E-03 1.06438312981E-02 1.13823655136E-02 1.21667090287E-02 1.29989341212E-02 1.38810873906E-02 1.48151648817E-02 1.58030832568E-02 1.68466452329E-02 1.79474993118E-02 1.91070935523E-02 2.03266205958E-02 2.16069556203E-02 2.29485842913E-02 2.43515200652E-02 2.58152098185E-02 2.73384263957E-02 2.89191470151E-02 3.05544143269E-02 3.22401811220E-02 3.39711347278E-02 3.57404992158E-02 3.75398163468E-02 3.93586986067E-02 4.11845564137E-02 4.30022956519E-02 4.47939822249E-02 4.65384760932E-02 4.82110271151E-02 4.97828361282E-02 5.12205793820E-02 5.24858919549E-02 5.35348180275E-02 5.43172204298E-02 5.47761601756E-02 5.48472440195E-02 5.44579483717E-02 5.35269292841E-02 5.19633267493E-02 4.96660787620E-02 4.65232659831E-02 4.24115055998E-02 3.71954301595E-02 3.07272796855E-02 2.28466529505E-02 1.33804791952E-02 2.14324726460E-03 -1.10623995202E-02 -2.64446540367E-02 -4.42209973082E-02 -6.46160061424E-02 -8.78584020213E-02 -1.14177171870E-01 -1.43796630469E-01 -1.76930234295E-01 -2.13772965450E-01 -2.54492109802E-01 -2.99216208403E-01 -3.48022027759E-01 -4.00919354361E-01 -4.57833492507E-01 -5.18585390275E-01 -5.82869380743E-01 -6.50228680007E-01 -7.20028904740E-01 -7.91430106189E-01 -8.63358104793E-01 -9.34476222045E-01 -1.00315900773E+00 -1.06747005694E+00 -1.12514669568E+00 -1.17359510561E+00 -1.20990032725E+00 -1.23085664730E+00 -1.23302494392E+00 -1.21282469545E+00 -1.16666945245E+00 -1.09115531831E+00 -9.83312351466E-01 -8.40928106724E-01 -6.62950329244E-01 -4.49971033324E-01 -2.04785275852E-01 6.69971758214E-02 3.56334017842E-01 6.50212753721E-01 9.31341491534E-01 1.17831214343E+00 1.36662616933E+00 1.47119516498E+00 1.47126372668E+00 1.35921027375E+00 1.15540283291E+00 1.21005980245E+00 4.74820172976E-01 3.13443248992E-02 -3.71059758828E-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 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 -1.78658680465E+00 1 2 1.87453200168E-01 2 2 -1.23522495660E+00 3 3 3.05506864813E+00 3 4 -9.72795891480E+00 4 4 1.81129109491E+01 5 5 4.66987518384E+00 5 6 1.13255591257E+01 6 6 2.45298614471E+01 6 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.30000000000E+00 2 1.30000000000E+00 3 1.30000000000E+00 4 1.30000000000E+00 5 1.30000000000E+00 1 1 0 i j (l(j)) -3.72158177447E-01 Q_int 0.00000000000E+00 -9.31583301075E-18 -3.82126278860E-17 -8.81779250821E-17 -1.60787775355E-16 -2.57711587702E-16 -3.80717233703E-16 -5.31676421618E-16 -7.12570354262E-16 -9.25495685429E-16 -1.17267079037E-15 -1.45644236666E-15 -1.77929238264E-15 -2.14384539137E-15 -2.55287622932E-15 -3.00931811940E-15 -3.51627119971E-15 -4.07701149980E-15 -4.69500038771E-15 -5.37389451230E-15 -6.11755626647E-15 -6.93006479818E-15 -7.81572759782E-15 -8.77909269157E-15 -9.82496147235E-15 -1.09584022011E-14 -1.21847642135E-14 -1.35096928677E-14 -1.49391452731E-14 -1.64794068385E-14 -1.81371086833E-14 -1.99192459564E-14 -2.18331971090E-14 -2.38867441709E-14 -2.60880940825E-14 -2.84459011363E-14 -3.09692905860E-14 -3.36678834832E-14 -3.65518228040E-14 -3.96318009345E-14 -4.29190885826E-14 -4.64255651917E-14 -5.01637509328E-14 -5.41468403565E-14 -5.83887377911E-14 -6.29040945759E-14 -6.77083482252E-14 -7.28177636219E-14 -7.82494763457E-14 -8.40215382457E-14 -9.01529653732E-14 -9.66637883961E-14 -1.03575105623E-13 -1.10909138772E-13 -1.18689291622E-13 -1.26940211703E-13 -1.35687855172E-13 -1.44959555043E-13 -1.54784092950E-13 -1.65191774613E-13 -1.76214509204E-13 -1.87885892817E-13 -2.00241296245E-13 -2.13317957291E-13 -2.27155077850E-13 -2.41793925997E-13 -2.57277943346E-13 -2.73652857950E-13 -2.90966803026E-13 -3.09270441809E-13 -3.28617098837E-13 -3.49062898018E-13 -3.70666907806E-13 -3.93491293873E-13 -4.17601479643E-13 -4.43066315105E-13 -4.69958254324E-13 -4.98353542103E-13 -5.28332410259E-13 -5.59979284012E-13 -5.93382999011E-13 -6.28637029526E-13 -6.65839728406E-13 -7.05094579384E-13 -7.46510462380E-13 -7.90201932455E-13 -8.36289513133E-13 -8.84900004816E-13 -9.36166809077E-13 -9.90230269637E-13 -1.04723803089E-12 -1.10734541490E-12 -1.17071581772E-12 -1.23752112621E-12 -1.30794215619E-12 -1.38216911323E-12 -1.46040207702E-12 -1.54285151077E-12 -1.62973879676E-12 -1.72129679936E-12 -1.81777045714E-12 -1.91941740528E-12 -2.02650863009E-12 -2.13932915708E-12 -2.25817877450E-12 -2.38337279398E-12 -2.51524285032E-12 -2.65413774234E-12 -2.80042431702E-12 -2.95448839896E-12 -3.11673576769E-12 -3.28759318520E-12 -3.46750947617E-12 -3.65695666381E-12 -3.85643116395E-12 -4.06645504059E-12 -4.28757732583E-12 -4.52037540768E-12 -4.76545648910E-12 -5.02345912201E-12 -5.29505482009E-12 -5.58094975441E-12 -5.88188653607E-12 -6.19864609051E-12 -6.53204962796E-12 -6.88296071513E-12 -7.25228745323E-12 -7.64098476788E-12 -8.05005681653E-12 -8.48055951951E-12 -8.93360322106E-12 -9.41035548690E-12 -9.91204404545E-12 -1.04399598801E-11 -1.09954604800E-11 -1.15799732581E-11 -1.21949991443E-11 -1.28421163631E-11 -1.35229844052E-11 -1.42393482032E-11 -1.49930425208E-11 -1.57859965684E-11 -1.66202388548E-11 -1.74979022880E-11 -1.84212295379E-11 -1.93925786743E-11 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