Generated using "atomic" code by A. Dal Corso (espresso distribution) Author: PMG Generation date: 16Jan2008 Cu 3d9_4s2 1 The Pseudo was generated with a Scalar-Relativistic Calculation 0 1.8000000E+00 L component and cutoff radius for Local Potential nl pn l occ Rcut Rcut US E pseu 3D 3 2 9.00 2.00000000000 2.00000000000 -0.71964728296 4S 1 0 2.00 1.80000000000 1.80000000000 -0.44448205798 0 Version Number Cu Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 11.00000000000 Z valence -84.43075787977 Total energy 60.545 242.179 Suggested cutoff for wfc and rho 2 Max angular momentum component 1199 Number of points in mesh 2 1 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3D 2 9.00 4S 0 2.00 3.14442057088E-05 3.18397251265E-05 3.22402195661E-05 3.26457516056E-05 3.30563846101E-05 3.34721827421E-05 3.38932109706E-05 3.43195350824E-05 3.47512216913E-05 3.51883382494E-05 3.56309530568E-05 3.60791352732E-05 3.65329549278E-05 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1.03769685601E-03 1.07725741925E-03 1.11832447547E-03 1.16095166838E-03 1.20520463337E-03 1.25114262607E-03 1.29882225441E-03 1.34832158056E-03 1.39970204294E-03 1.45303497821E-03 1.50840070121E-03 1.56586414889E-03 1.62552192284E-03 1.68743801861E-03 1.75171453446E-03 1.81843054947E-03 1.88768338545E-03 1.95956687104E-03 2.03418014736E-03 2.11162943883E-03 2.19201763326E-03 2.27546156612E-03 2.36207015524E-03 2.45196830312E-03 2.54527866443E-03 2.64212802641E-03 2.74265331652E-03 2.84699144767E-03 2.95528619394E-03 3.06768822136E-03 3.18435031285E-03 3.30543564719E-03 3.43110819941E-03 3.56154327746E-03 3.69691875300E-03 3.83742096860E-03 3.98324181201E-03 4.13458479490E-03 4.29165229038E-03 4.45466551037E-03 4.62384196208E-03 4.79941777264E-03 4.98162924441E-03 5.17072995860E-03 5.36697274146E-03 5.57063096386E-03 5.78197766804E-03 6.00130455361E-03 6.22890617177E-03 6.46509730491E-03 6.71019399573E-03 6.96453258781E-03 7.22845594338E-03 7.50232338928E-03 7.78650446190E-03 8.08138505320E-03 8.38736264186E-03 8.70485004589E-03 9.03427654896E-03 9.37608568241E-03 9.73073670243E-03 1.00987070741E-02 1.04804903773E-02 1.08765990483E-02 1.12875632706E-02 1.17139324306E-02 1.21562767777E-02 1.26151862231E-02 1.30912715153E-02 1.35851671010E-02 1.40975278203E-02 1.46290344613E-02 1.51803899086E-02 1.57523240200E-02 1.63455911997E-02 1.69609736053E-02 1.75992811113E-02 1.82613513179E-02 1.89480529818E-02 1.96602841839E-02 2.03989754025E-02 2.11650892786E-02 2.19596226618E-02 2.27836068165E-02 2.36381090989E-02 2.45242342752E-02 2.54431247502E-02 2.63959632232E-02 2.73839726297E-02 2.84084179624E-02 2.94706078342E-02 3.05718956523E-02 3.17136800183E-02 3.28974085466E-02 3.41245761763E-02 3.53967295067E-02 3.67154661450E-02 3.80824376099E-02 3.94993507064E-02 4.09679677535E-02 4.24901105777E-02 4.40676599252E-02 4.57025590277E-02 4.73968131711E-02 4.91524940849E-02 5.09717390246E-02 5.28567547179E-02 5.48098177632E-02 5.68332773084E-02 5.89295562046E-02 6.11011536539E-02 6.33506462891E-02 6.56806907094E-02 6.80940250318E-02 7.05934706454E-02 7.31819347544E-02 7.58624113902E-02 7.86379841527E-02 8.15118272601E-02 8.44872082901E-02 8.75674890402E-02 9.07561282111E-02 9.40566825817E-02 9.74728087897E-02 1.01008265512E-01 1.04666913993E-01 1.08452720943E-01 1.12369758635E-01 1.16422207241E-01 1.20614355603E-01 1.24950602314E-01 1.29435457081E-01 1.34073541172E-01 1.38869588461E-01 1.43828445479E-01 1.48955072376E-01 1.54254542551E-01 1.59732042505E-01 1.65392872021E-01 1.71242442851E-01 1.77286278247E-01 1.83530011530E-01 1.89979384541E-01 1.96640245621E-01 2.03518547368E-01 2.10620343626E-01 2.17951786498E-01 2.25519122256E-01 2.33328687337E-01 2.41386903318E-01 2.49700271424E-01 2.58275366465E-01 2.67118830021E-01 2.76237362731E-01 2.85637716133E-01 2.95326683290E-01 3.05311088891E-01 3.15597778020E-01 3.26193604327E-01 3.37105416842E-01 3.48340045877E-01 3.59904287517E-01 3.71804887239E-01 3.84048521863E-01 3.96641780266E-01 4.09591142888E-01 4.22902959227E-01 4.36583424350E-01 4.50638553263E-01 4.65074153854E-01 4.79895797976E-01 4.95108790540E-01 5.10718136948E-01 5.26728508161E-01 5.43144204021E-01 5.59969114227E-01 5.77206677112E-01 5.94859836298E-01 6.12930994780E-01 6.31421966834E-01 6.50333927374E-01 6.69667358842E-01 6.89421995615E-01 7.09596765864E-01 7.30189730832E-01 7.51198021585E-01 7.72617773216E-01 7.94444056503E-01 8.16670807124E-01 8.39290752392E-01 8.62295335747E-01 8.85674638923E-01 9.09417302059E-01 9.33510441870E-01 9.57939568041E-01 9.82688498101E-01 1.00773927102E+00 1.03307205982E+00 1.05866508360E+00 1.08449451920E+00 1.11053441319E+00 1.13675659442E+00 1.16313058785E+00 1.18962353021E+00 1.21620008804E+00 1.24282237915E+00 1.26944989790E+00 1.29603944547E+00 1.32254506605E+00 1.34891798972E+00 1.37510658353E+00 1.40105631157E+00 1.42670970561E+00 1.45200634744E+00 1.47688286456E+00 1.50127294048E+00 1.52510734147E+00 1.54831396125E+00 1.57081788544E+00 1.59254147751E+00 1.61340448813E+00 1.63332418971E+00 1.65221553811E+00 1.66999136337E+00 1.68656259142E+00 1.70183849856E+00 1.71572700052E+00 1.72813497787E+00 1.73896863930E+00 1.74813392422E+00 1.75553694591E+00 1.76108447623E+00 1.76468447247E+00 1.76624664689E+00 1.76568307870E+00 1.76290886808E+00 1.75784283122E+00 1.75040823476E+00 1.74053356732E+00 1.72815334534E+00 1.71320894933E+00 1.69564948609E+00 1.67543267142E+00 1.65252572692E+00 1.62690628365E+00 1.59856328409E+00 1.56749787318E+00 1.53372426785E+00 1.49727059372E+00 1.45817967646E+00 1.41650977435E+00 1.37233523805E+00 1.32574708231E+00 1.27685345445E+00 1.22577998340E+00 1.17266999330E+00 1.11768456563E+00 1.06100243410E+00 1.00281969726E+00 9.43349334779E-01 8.82820514673E-01 8.21477680579E-01 7.59579410163E-01 6.97397038444E-01 6.35213042591E-01 5.73319188013E-01 5.12014439198E-01 4.51602642436E-01 3.92389991694E-01 3.34682292938E-01 2.78782046343E-01 2.24985369936E-01 1.73578792001E-01 1.24835943254E-01 7.90141830019E-02 3.63511962791E-02 -2.93839867355E-03 -3.86663914091E-02 -7.06742262217E-02 -9.88361114196E-02 -1.23061946704E-01 -1.43300023627E-01 -1.59539453437E-01 -1.71812275433E-01 -1.80195197162E-01 -1.84810915297E-01 -1.85828962343E-01 -1.83466019772E-01 -1.77985632497E-01 -1.69697253304E-01 -1.58954539345E-01 -1.46152816884E-01 -1.31725626293E-01 -1.16140258130E-01 -9.98921947048E-02 -8.34983816521E-02 -6.74738929618E-02 -5.22747170843E-02 -3.83298585556E-02 -2.60441036497E-02 -1.57848424495E-02 -7.87060125381E-03 -2.53789793185E-03 -1.17095138063E-04 1.08641215655E-05 -1.78115504886E-06 -4.88111498163E-07 -5.78709130974E-07 -5.33823889227E-07 -5.04022029221E-07 -4.74327800164E-07 -4.46176373765E-07 -4.19374905260E-07 -3.93891214888E-07 2.00 2.00 3D 1 Number of nonzero Dij 1 1 -1.09476915486E+01 0 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1 2 i j (l(j)) 0.00000000000E+00 Q_int 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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 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