Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 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 -7.27998272800 4P 4 1 6.00 0.00000000000 1.50000000000 -4.60495259200 4D 4 2 10.00 0.00000000000 1.70000000000 -0.85461448100 5S 5 0 0.50 0.00000000000 1.50000000000 -0.59304489400 5P 5 1 0.00 0.00000000000 1.50000000000 -0.25695852300 0 Version Number Ag Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 19.00000000000 Z valence -295.20667856400 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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-2.34506756802E-09 -2.38680884103E-09 -2.42738017733E-09 -2.46818789980E-09 -2.50781655214E-09 -2.54718606792E-09 -2.58546548047E-09 -2.62237799342E-09 -2.65845104801E-09 -2.69288960940E-09 -2.72557357650E-09 -2.75655324566E-09 -2.78496053982E-09 -2.81129750921E-09 -2.83442422947E-09 -2.85493824795E-09 -2.87153017902E-09 -2.88437035247E-09 -2.89275893675E-09 -2.89652190792E-09 -2.89475026635E-09 -2.88735651562E-09 -2.87348087706E-09 -2.85196855094E-09 -2.82299358801E-09 -2.78564557135E-09 -2.73814371311E-09 -2.68132406365E-09 -2.61182985683E-09 -2.53128450874E-09 -2.43624003499E-09 -2.32693665335E-09 -2.20162421991E-09 -2.05823753308E-09 -1.89611715484E-09 -1.71329070789E-09 -1.50751816741E-09 -1.27765501293E-09 -1.02045302458E-09 -7.34564421145E-10 -4.16969207183E-10 -6.55680605062E-11 3.23206586013E-10 7.52524987798E-10 1.22495417188E-09 1.74526237169E-09 2.31646849845E-09 2.94230669444E-09 3.63044411403E-09 4.38177367062E-09 5.20405560591E-09 6.10295138836E-09 7.08357287529E-09 8.15428897134E-09 9.32106417374E-09 1.05920042371E-08 1.19758924339E-08 1.34815980514E-08 1.51199410607E-08 1.68990653617E-08 1.88336616131E-08 2.09337713423E-08 2.32133065274E-08 2.56871981581E-08 2.83712169246E-08 3.12799024944E-08 3.44343493281E-08 3.78515600140E-08 4.15547839125E-08 4.55646855867E-08 4.99062997372E-08 5.46071238480E-08 5.96930958429E-08 6.51979390051E-08 7.11520778932E-08 7.75927169586E-08 8.45568390490E-08 9.20876674162E-08 1.00228670489E-07 1.09028237083E-07 1.18537577435E-07 1.28814729188E-07 1.39915740576E-07 1.51913885864E-07 1.64868007471E-07 1.78863608890E-07 1.93977210640E-07 2.10296357647E-07 2.27920261088E-07 2.46946497116E-07 2.67485695103E-07 2.89659819100E-07 3.13590830325E-07 3.39426816048E-07 3.67305057722E-07 3.97392053526E-07 4.29861373388E-07 4.64895870932E-07 5.02700536523E-07 5.43485634893E-07 5.87494670055E-07 6.34965451787E-07 6.86182280587E-07 7.41432942041E-07 8.01026521364E-07 8.65312918466E-07 9.34651010788E-07 1.00943673096E-06 1.09010348457E-06 1.17709487559E-06 1.27091906479E-06 1.37210052057E-06 1.48121842897E-06 1.59889212189E-06 1.72578462986E-06 1.86261909093E-06 2.01016907022E-06 2.16927106018E-06 2.34082800209E-06 2.52580768344E-06 2.72525709656E-06 2.94030825183E-06 3.17216960276E-06 3.42216178136E-06 3.69169235790E-06 3.98227746310E-06 4.29556905481E-06 4.63333313745E-06 4.99746865845E-06 5.39004613340E-06 5.81325785287E-06 6.26951314941E-06 6.76136701884E-06 7.29161116898E-06 7.86321041061E-06 8.47940790395E-06 9.14365582145E-06 9.85970991308E-06 1.06316003616E-05 1.14636609061E-05 1.23605858911E-05 1.33274223675E-05 1.43695960019E-05 1.54929893365E-05 1.67039094606E-05 1.80091503696E-05 1.94160729959E-05 2.09325628616E-05 2.25671623382E-05 2.43290204471E-05 2.62280607951E-05 2.82749293757E-05 3.04811024797E-05 3.28590022708E-05 3.54219025687E-05 3.81842366983E-05 4.11614516351E-05 4.43702430268E-05 4.78285958298E-05 5.15558884567E-05 5.55729473431E-05 5.99023130900E-05 6.45681573517E-05 6.95966281734E-05 7.50157858065E-05 8.08559504657E-05 8.71497391943E-05 9.39322699030E-05 1.01241447915E-04 1.09117986952E-04 1.17605837029E-04 1.26752304562E-04 1.36608282147E-04 1.47228705897E-04 1.58672560649E-04 1.71003561316E-04 1.84290131766E-04 1.98606068519E-04 2.14030810420E-04 2.30649796496E-04 2.48555126188E-04 2.67845848858E-04 2.88628623427E-04 3.11018285602E-04 3.35138305026E-04 3.61121685557E-04 3.89111502038E-04 4.19261635248E-04 4.51737770183E-04 4.86717993936E-04 5.24394019835E-04 5.64971888117E-04 6.08673282249E-04 6.55736572481E-04 7.06417962836E-04 7.60992936320E-04 8.19757558931E-04 8.83029993978E-04 9.51152249640E-04 1.02449144193E-03 1.10344223981E-03 1.18842829791E-03 1.27990451503E-03 1.37835930742E-03 1.48431674976E-03 1.59833923582E-03 1.72103010844E-03 1.85303626841E-03 1.99505152096E-03 2.14781924983E-03 2.31213617941E-03 2.48885568711E-03 2.67889132731E-03 2.88322139663E-03 3.10289200007E-03 3.33902252223E-03 3.59280915562E-03 3.86553030489E-03 4.15855113647E-03 4.47332882395E-03 4.81141773676E-03 5.17447525059E-03 5.56426677291E-03 5.98267231706E-03 6.43169146192E-03 6.91345010091E-03 7.43020600963E-03 7.98435467942E-03 8.57843584549E-03 9.21513817031E-03 9.89730593769E-03 1.06279429930E-02 1.14102183373E-02 1.22474699764E-02 1.31432074579E-02 1.41011154792E-02 1.51250542772E-02 1.62190590120E-02 1.73873390943E-02 1.86342725652E-02 1.99644009096E-02 2.13824192002E-02 2.28931636334E-02 2.45015950366E-02 2.62127778398E-02 2.80318542502E-02 2.99640118219E-02 3.20144446900E-02 3.41883070866E-02 3.64906573593E-02 3.89263928046E-02 4.15001723517E-02 4.42163270704E-02 4.70787555344E-02 5.00908036625E-02 5.32551260718E-02 5.65735274709E-02 6.00467819854E-02 6.36744267418E-02 6.74545296888E-02 7.13834262959E-02 7.54554244978E-02 7.96624734753E-02 8.39937940587E-02 8.84354690652E-02 9.29699871312E-02 9.75757422794E-02 1.02226483146E-01 1.06890711060E-01 1.11531025694E-01 1.16103418836E-01 1.20556513462E-01 1.24830755191E-01 1.28857554285E-01 1.32558385971E-01 1.35843862137E-01 1.38612775813E-01 1.40751145532E-01 1.42131270541E-01 1.42610829310E-01 1.42032050183E-01 1.40220995620E-01 1.36987006955E-01 1.32122378114E-01 1.25402308856E-01 1.16585251130E-01 1.05413714409E-01 9.16156699045E-02 7.49066734683E-02 5.49928485814E-02 3.15749176928E-02 4.35344076617E-03 -2.69645189307E-02 -6.26570880867E-02 -1.02977428537E-01 -1.48141473687E-01 -1.98313368242E-01 -2.53588384287E-01 -3.13973153162E-01 -3.79363122999E-01 -4.49517200412E-01 -5.24029719479E-01 -6.02300012006E-01 -6.83500107562E-01 -7.66541415601E-01 -8.50041586544E-01 -9.32293296676E-01 -1.01123725375E+00 -1.08444246704E+00 -1.14909769899E+00 -1.20201895162E+00 -1.23967902591E+00 -1.25826632028E+00 -1.25378129800E+00 -1.22218020527E+00 -1.15957643398E+00 -1.06251031315E+00 -9.28297334805E-01 -7.55462412698E-01 -5.44262565827E-01 -2.97290688931E-01 -2.01366189514E-02 2.77945532096E-01 5.83458094658E-01 8.78330860625E-01 1.14010988878E+00 1.34309281356E+00 1.46108536533E+00 1.47282597506E+00 1.37169184972E+00 1.18210645656E+00 1.31941428310E+00 5.18725801938E-01 3.48452312449E-02 -4.53406563173E-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 -1.76074960113E+00 1 2 1.92857178205E-01 2 2 -1.22330466146E+00 3 3 3.13785928053E+00 3 4 -9.84909312467E+00 4 4 1.83276570475E+01 5 5 4.83747588237E+00 5 6 1.17462592708E+01 6 6 2.56599483603E+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)) -3.56687909692E-01 Q_int 0.00000000000E+00 -9.00101772794E-18 -3.69212866564E-17 -8.51980779347E-17 -1.55354181933E-16 -2.49002592352E-16 -3.67851438077E-16 -5.13709175656E-16 -6.88490055985E-16 -8.94219879431E-16 -1.13304205442E-15 -1.40722397524E-15 -1.71916373563E-15 -2.07139719566E-15 -2.46660542012E-15 -2.90762250788E-15 -3.39744383227E-15 -3.93923471410E-15 -4.53633954941E-15 -5.19229141585E-15 -5.91082218225E-15 -6.69587314760E-15 -7.55160623677E-15 -8.48241578191E-15 -9.49294091971E-15 -1.05880786365E-14 -1.17729974946E-14 -1.30531520757E-14 -1.44342981769E-14 -1.59225088007E-14 -1.75241909772E-14 -1.92461034643E-14 -2.10953753689E-14 -2.30795257383E-14 -2.52064841709E-14 -2.74846124999E-14 -2.99227276041E-14 -3.25301254053E-14 -3.53166061122E-14 -3.82925007769E-14 -4.14686992299E-14 -4.48566794658E-14 -4.84685385542E-14 -5.23170251547E-14 -5.64155737187E-14 -6.07783404645E-14 -6.54202412174E-14 -7.03569912120E-14 -7.56051469553E-14 -8.11821502602E-14 -8.71063745575E-14 -9.33971736074E-14 -1.00074932731E-13 -1.07161122696E-13 -1.14678356383E-13 -1.22650448394E-13 -1.31102477734E-13 -1.40060853739E-13 -1.49553385407E-13 -1.59609354320E-13 -1.70259591326E-13 -1.81536557185E-13 -1.93474427384E-13 -2.06109181331E-13 -2.19478696147E-13 -2.33622845311E-13 -2.48583602389E-13 -2.64405150120E-13 -2.81133995130E-13 -2.98819088560E-13 -3.17511952922E-13 -3.37266815495E-13 -3.58140748602E-13 -3.80193817113E-13 -4.03489233560E-13 -4.28093521246E-13 -4.54076685754E-13 -4.81512395303E-13 -5.10478170390E-13 -5.41055583205E-13 -5.73330467322E-13 -6.07393138184E-13 -6.43338624944E-13 -6.81266914251E-13 -7.21283206582E-13 -7.63498185774E-13 -8.08028302430E-13 -8.54996071914E-13 -9.04530387683E-13 -9.56766850742E-13 -1.01184811606E-12 -1.06992425680E-12 -1.13115314728E-12 -1.19570086570E-12 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-1.97245525944E-11 -2.07631845587E-11 -2.18557784787E-11 -2.30051190206E-11 -2.42141340788E-11 -2.54859021307E-11 -2.68236599687E-11 -2.82308108301E-11 -2.97109329427E-11 -3.12677885095E-11 -3.29053331548E-11 -3.46277258540E-11 -3.64393393738E-11 -3.83447712473E-11 -4.03488553125E-11 -4.24566738428E-11 -4.46735702996E-11 -4.70051627393E-11 -4.94573579082E-11 -5.20363660599E-11 -5.47487165336E-11 -5.76012741309E-11 -6.06012563332E-11 -6.37562514018E-11 -6.70742374069E-11 -7.05636022323E-11 -7.42331646068E-11 -7.80921962137E-11 -8.21504449351E-11 -8.64181592878E-11 -9.09061141132E-11 -9.56256375844E-11 -1.00588639599E-10 -1.05807641627E-10 -1.11295808093E-10 -1.17066979362E-10 -1.23135706424E-10 -1.29517287352E-10 -1.36227805633E-10 -1.43284170463E-10 -1.50704159112E-10 -1.58506461457E-10 -1.66710726802E-10 -1.75337613099E-10 -1.84408838693E-10 -1.93947236721E-10 -2.03976812300E-10 -2.14522802650E-10 -2.25611740298E-10 -2.37271519523E-10 -2.49531466215E-10 -2.62422411303E-10 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