Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 23 7 2013 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.70000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3S 3 0 2.00 0.00000000000 1.70000000000 -0.56704600300 3P 3 1 1.00 0.00000000000 1.70000000000 -0.19767874900 0 Version Number Al Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 3.00000000000 Z valence -6.36349853391 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 893 Number of points in mesh 2 3 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3S 0 2.00 3P 1 1.00 0.00000000000E+00 1.17887612203E-06 2.37756482565E-06 3.59639908765E-06 4.83571748095E-06 6.09586426862E-06 7.37718949954E-06 8.68004910562E-06 1.00048050007E-05 1.13518251810E-05 1.27214838275E-05 1.41141614098E-05 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-2.37210621688E-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 3 Number of nonzero Dij 1 1 8.03292047320E+00 2 2 5.21132867028E+00 3 3 4.94336150768E-01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 9.00000000000E-01 2 9.00000000000E-01 3 9.00000000000E-01 4 9.00000000000E-01 5 9.00000000000E-01 1 1 0 i j (l(j)) 2.26462968402E-01 Q_int 0.00000000000E+00 3.30649393529E-11 1.34491897871E-10 3.07728093101E-10 5.56356578895E-10 8.84101168791E-10 1.29483153164E-09 1.79256846539E-09 2.38148935520E-09 3.06593382215E-09 3.85040956922E-09 4.73959843115E-09 5.73836263543E-09 6.85175128134E-09 8.08500704494E-09 9.44357311742E-09 1.09331003850E-08 1.25594548585E-08 1.43287253619E-08 1.62472314870E-08 1.83215318257E-08 2.05584324875E-08 2.29649959129E-08 2.55485499924E-08 2.83166975026E-08 3.12773258684E-08 3.44386172645E-08 3.78090590663E-08 4.13974546632E-08 4.52129346461E-08 4.92649683819E-08 5.35633759889E-08 5.81183407260E-08 6.29404218106E-08 6.80405676789E-08 7.34301297053E-08 7.91208763946E-08 8.51250080652E-08 9.14551720386E-08 9.81244783527E-08 1.05146516018E-07 1.12535369835E-07 1.20305637788E-07 1.28472449044E-07 1.37051482564E-07 1.46058986365E-07 1.55511797439E-07 1.65427362357E-07 1.75823758584E-07 1.86719716533E-07 1.98134642367E-07 2.10088641592E-07 2.22602543461E-07 2.35697926215E-07 2.49397143194E-07 2.63723349840E-07 2.78700531634E-07 2.94353532989E-07 3.10708087134E-07 3.27790847030E-07 3.45629417336E-07 3.64252387484E-07 3.83689365880E-07 4.03971015285E-07 4.25129089400E-07 4.47196470719E-07 4.70207209662E-07 4.94196565069E-07 5.19201046063E-07 5.45258455361E-07 5.72407934063E-07 6.00690007973E-07 6.30146635509E-07 6.60821257256E-07 6.92758847209E-07 7.26005965773E-07 7.60610814579E-07 7.96623293171E-07 8.34095057632E-07 8.73079581225E-07 9.13632217091E-07 9.55810263109E-07 9.99673028957E-07 1.04528190548E-06 1.09270043641E-06 1.14199439257E-06 1.19323184857E-06 1.24648326216E-06 1.30182155627E-06 1.35932220387E-06 1.41906331571E-06 1.48112573108E-06 1.54559311164E-06 1.61255203846E-06 1.68209211243E-06 1.75430605796E-06 1.82928983039E-06 1.90714272693E-06 1.98796750147E-06 2.07187048323E-06 2.15896169954E-06 2.24935500274E-06 2.34316820147E-06 2.44052319636E-06 2.54154612041E-06 2.64636748414E-06 2.75512232567E-06 2.86795036596E-06 2.98499616924E-06 3.10640930907E-06 3.23234453990E-06 3.36296197455E-06 3.49842726777E-06 3.63891180595E-06 3.78459290341E-06 3.93565400530E-06 4.09228489743E-06 4.25468192324E-06 4.42304820818E-06 4.59759389172E-06 4.77853636724E-06 4.96610053012E-06 5.16051903424E-06 5.36203255727E-06 5.57089007489E-06 5.78734914446E-06 6.01167619827E-06 6.24414684676E-06 6.48504619215E-06 6.73466915259E-06 6.99332079752E-06 7.26131669427E-06 7.53898326658E-06 7.82665816523E-06 8.12469065133E-06 8.43344199260E-06 8.75328587321E-06 9.08460881743E-06 9.42781062782E-06 9.78330483825E-06 1.01515191823E-05 1.05328960776E-05 1.09278931269E-05 1.13369836355E-05 1.17606571470E-05 1.21994199970E-05 1.26537958854E-05 1.31243264686E-05 1.36115719712E-05 1.41161118191E-05 1.46385452938E-05 1.51794922093E-05 1.57395936112E-05 1.63195125004E-05 1.69199345808E-05 1.75415690332E-05 1.81851493143E-05 1.88514339838E-05 1.95412075594E-05 2.02552814007E-05 2.09944946228E-05 2.17597150419E-05 2.25518401520E-05 2.33717981352E-05 2.42205489066E-05 2.50990851941E-05 2.60084336553E-05 2.69496560321E-05 2.79238503447E-05 2.89321521261E-05 2.99757356981E-05 3.10558154916E-05 3.21736474105E-05 3.33305302428E-05 3.45278071193E-05 3.57668670221E-05 3.70491463433E-05 3.83761304984E-05 3.97493555924E-05 4.11704101444E-05 4.26409368692E-05 4.41626345200E-05 4.57372597941E-05 4.73666293024E-05 4.90526216062E-05 5.07971793231E-05 5.26023113046E-05 5.44700948865E-05 5.64026782177E-05 5.84022826655E-05 6.04712053048E-05 6.26118214902E-05 6.48265875162E-05 6.71180433672E-05 6.94888155610E-05 7.19416200886E-05 7.44792654543E-05 7.71046558178E-05 7.98207942440E-05 8.26307860625E-05 8.55378423408E-05 8.85452834761E-05 9.16565429078E-05 9.48751709572E-05 9.82048387961E-05 1.01649342551E-04 1.05212607546E-04 1.08898692688E-04 1.12711795007E-04 1.16656254338E-04 1.20736558178E-04 1.24957346690E-04 1.29323417893E-04 1.33839733013E-04 1.38511422032E-04 1.43343789406E-04 1.48342319994E-04 1.53512685176E-04 1.58860749187E-04 1.64392575656E-04 1.70114434379E-04 1.76032808308E-04 1.82154400790E-04 1.88486143036E-04 1.95035201863E-04 2.01808987676E-04 2.08815162740E-04 2.16061649717E-04 2.23556640505E-04 2.31308605364E-04 2.39326302363E-04 2.47618787134E-04 2.56195422973E-04 2.65065891264E-04 2.74240202271E-04 2.83728706289E-04 2.93542105171E-04 3.03691464250E-04 3.14188224659E-04 3.25044216075E-04 3.36271669886E-04 3.47883232811E-04 3.59891980975E-04 3.72311434464E-04 3.85155572372E-04 3.98438848354E-04 4.12176206710E-04 4.26383099008E-04 4.41075501271E-04 4.56269931749E-04 4.71983469281E-04 4.88233772296E-04 5.05039098434E-04 5.22418324848E-04 5.40390969186E-04 5.58977211277E-04 5.78197915556E-04 5.98074654249E-04 6.18629731328E-04 6.39886207291E-04 6.61867924770E-04 6.84599535002E-04 7.08106525197E-04 7.32415246834E-04 7.57552944898E-04 7.83547788122E-04 8.10428900232E-04 8.38226392255E-04 8.66971395917E-04 8.96696098162E-04 9.27433776835E-04 9.59218837575E-04 9.92086851939E-04 1.02607459682E-03 1.06122009519E-03 1.09756265821E-03 1.13514292876E-03 1.17400292643E-03 1.21418609406E-03 1.25573734576E-03 1.29870311666E-03 1.34313141421E-03 1.38907187131E-03 1.43657580117E-03 1.48569625400E-03 1.53648807567E-03 1.58900796823E-03 1.64331455259E-03 1.69946843317E-03 1.75753226486E-03 1.81757082207E-03 1.87965107020E-03 1.94384223951E-03 2.01021590133E-03 2.07884604703E-03 2.14980916942E-03 2.22318434699E-03 2.29905333096E-03 2.37750063519E-03 2.45861362912E-03 2.54248263381E-03 2.62920102114E-03 2.71886531640E-03 2.81157530418E-03 2.90743413790E-03 3.00654845290E-03 3.10902848329E-03 3.21498818275E-03 3.32454534925E-03 3.43782175396E-03 3.55494327439E-03 3.67604003200E-03 3.80124653428E-03 3.93070182156E-03 4.06454961870E-03 4.20293849174E-03 4.34602200968E-03 4.49395891168E-03 4.64691327967E-03 4.80505471667E-03 4.96855853093E-03 5.13760592614E-03 5.31238419786E-03 5.49308693632E-03 5.67991423589E-03 5.87307291138E-03 6.07277672136E-03 6.27924659869E-03 6.49271088869E-03 6.71340559481E-03 6.94157463244E-03 7.17747009078E-03 7.42135250327E-03 7.67349112660E-03 7.93416422879E-03 8.20365938640E-03 8.48227379141E-03 8.77031456766E-03 9.06809909763E-03 9.37595535938E-03 9.69422227434E-03 1.00232500660E-02 1.03634006298E-02 1.07150479153E-02 1.10785783191E-02 1.14543910914E-02 1.18428987544E-02 1.22445275339E-02 1.26597178043E-02 1.30889245475E-02 1.35326178259E-02 1.39912832691E-02 1.44654225771E-02 1.49555540371E-02 1.54622130569E-02 1.59859527145E-02 1.65273443234E-02 1.70869780155E-02 1.76654633412E-02 1.82634298869E-02 1.88815279109E-02 1.95204289981E-02 2.01808267332E-02 2.08634373939E-02 2.15690006635E-02 2.22982803639E-02 2.30520652101E-02 2.38311695841E-02 2.46364343325E-02 2.54687275842E-02 2.63289455920E-02 2.72180135956E-02 2.81368867090E-02 2.90865508305E-02 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