Generated using Vanderbilt code, version 7 0 0 Author: unknown Generation date: 0 0 0 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.40000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 4D 4 2 10.00 10.00000000000 1.70000000000 -1.90180956600 5S 5 0 2.00 10.00000000000 2.00000000000 -0.78078353500 5P 5 1 2.00 10.00000000000 2.20000000000 -0.27492013100 0 Version Number Sn Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 14.00000000000 Z valence -162.54832478100 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 891 Number of points in mesh 3 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 4D 2 10.00 5S 0 2.00 5P 1 2.00 0.00000000000E+00 1.14441022725E-09 2.31779133734E-09 3.52087673165E-09 4.75441837771E-09 6.01918727922E-09 7.31597395790E-09 8.64558894766E-09 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9.06435696648E-03 9.72858005990E-03 1.04391231159E-02 1.11989006351E-02 1.20109669832E-02 1.28785166762E-02 1.38048834297E-02 1.47935377430E-02 1.58480828171E-02 1.69722484667E-02 1.81698827283E-02 1.94449407756E-02 2.08014708183E-02 2.22435963833E-02 2.37754947005E-02 2.54013704154E-02 2.71254242328E-02 2.89518157266E-02 3.08846196305E-02 3.29277749024E-02 3.50850256815E-02 3.73598532960E-02 3.97553984713E-02 4.22743726586E-02 4.49189576501E-02 4.76906923423E-02 5.05903458088E-02 5.36177755448E-02 5.67717701183E-02 6.00498753597E-02 6.34482033566E-02 6.69612239577E-02 7.05815383349E-02 7.42996350659E-02 7.81036290220E-02 8.19789845522E-02 8.59082246263E-02 8.98706288248E-02 9.38419239490E-02 9.77939723232E-02 1.01694464299E-01 1.05506623392E-01 1.09188934139E-01 1.12694905596E-01 1.15972885474E-01 1.18965943321E-01 1.21611844206E-01 1.23843137891E-01 1.25587392418E-01 1.26767604944E-01 1.27302826500E-01 1.27109041815E-01 1.26100347900E-01 1.24190479159E-01 1.21294727745E-01 1.17332308234E-01 1.12229214440E-01 1.05921609886E-01 9.83597856940E-02 8.95127048512E-02 7.93731307661E-02 6.79633107802E-02 5.53411451069E-02 4.16067236808E-02 2.69090497722E-02 1.14526910758E-02 -4.49599282756E-03 -2.06035099694E-02 -3.64653697474E-02 -5.16044182909E-02 -6.54722509713E-02 -7.74547236711E-02 -8.68827212402E-02 -9.30494413153E-02 -9.52354949959E-02 -9.27430714395E-02 -8.49402122324E-02 -7.13158387319E-02 -5.15454886774E-02 -2.55666702718E-02 6.33876410235E-03 4.34598808535E-02 8.45768961879E-02 1.27897042116E-01 1.71020664956E-01 2.10956487833E-01 2.44209282566E-01 2.66966709185E-01 2.75413547568E-01 2.66199021802E-01 2.37073626741E-01 1.87692010834E-01 1.20543190567E-01 4.19130548609E-02 -3.72987920172E-02 -1.01198670623E-01 -1.29385607979E-01 -9.88853936215E-02 1.17750051498E-02 2.15683337277E-01 5.07536940117E-01 8.51264444288E-01 1.16844249430E+00 1.33556899187E+00 1.20785098605E+00 7.01976067930E-01 2.18423820490E-02 -5.20805366078E-02 2.70134138490E-01 5.52742891445E-01 8.09310509518E-01 1.03159512437E+00 1.21241066946E+00 1.34512818693E+00 1.42201512735E+00 1.43585454805E+00 1.37822563486E+00 1.24080791836E+00 1.01389140136E+00 6.87343306708E-01 2.49364528541E-01 -1.70199184774E-04 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 3.49608274677E+00 1 2 7.35650753731E-01 2 2 9.38799399346E-02 3 3 6.16039351107E-01 3 4 7.21692560239E-01 4 4 -4.55171222487E-01 5 5 1.42832795553E+00 5 6 -2.52369718089E+00 6 6 4.61344522201E-01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.10000000000E+00 2 1.10000000000E+00 3 1.10000000000E+00 4 1.10000000000E+00 5 1.10000000000E+00 1 1 0 i j (l(j)) -2.77083101810E-01 Q_int 0.00000000000E+00 1.05938595668E-17 4.34549667255E-17 1.00274935600E-16 1.82846033222E-16 2.93066692554E-16 4.32947317094E-16 6.04616392231E-16 8.10326919321E-16 1.05246318926E-15 1.33354791321E-15 1.65624972901E-15 2.02339110289E-15 2.43795664681E-15 2.90310187329E-15 3.42216241016E-15 3.99866369927E-15 4.63633120422E-15 5.33910115348E-15 6.11113184664E-15 6.95681555306E-15 7.88079103350E-15 8.88795671713E-15 9.98348456773E-15 1.11728346748E-14 1.24617706072E-14 1.38563755687E-14 1.53630693966E-14 1.69886264480E-14 1.87401944184E-14 2.06253141417E-14 2.26519404218E-14 2.48284639495E-14 2.71637343609E-14 2.96670844954E-14 3.23483559163E-14 3.52179257585E-14 3.82867349726E-14 4.15663180361E-14 4.50688342089E-14 4.88071004122E-14 5.27946258142E-14 5.70456482112E-14 6.15751722965E-14 6.63990099143E-14 7.15338224015E-14 7.69971651241E-14 8.28075343223E-14 8.89844163828E-14 9.55483396636E-14 1.02520929002E-13 1.09924963047E-13 1.17784434556E-13 1.26124613813E-13 1.34972115331E-13 1.44354968000E-13 1.54302688868E-13 1.64846360729E-13 1.76018713731E-13 1.87854211193E-13 2.00389139864E-13 2.13661704841E-13 2.27712129387E-13 2.42582759911E-13 2.58318176362E-13 2.74965308326E-13 2.92573557115E-13 3.11194924149E-13 3.30884145980E-13 3.51698836261E-13 3.73699635052E-13 3.96950365824E-13 4.21518200554E-13 4.47473833337E-13 4.74891662948E-13 5.03849984814E-13 5.34431192876E-13 5.66721991856E-13 6.00813620468E-13 6.36802086114E-13 6.74788411684E-13 7.14878895059E-13 7.57185381981E-13 8.01825552979E-13 8.48923225059E-13 8.98608668938E-13 9.51018942599E-13 1.00629824202E-12 1.06459826996E-12 1.12607862369E-12 1.19090720277E-12 1.25926063765E-12 1.33132474050E-12 1.40729497908E-12 1.48737697511E-12 1.57178702819E-12 1.66075266668E-12 1.75451322696E-12 1.85332046243E-12 1.95743918382E-12 2.06714793249E-12 2.18273968824E-12 2.30452261362E-12 2.43282083643E-12 2.56797527244E-12 2.71034449046E-12 2.86030562183E-12 3.01825531661E-12 3.18461074900E-12 3.35981067438E-12 3.54431654063E-12 3.73861365662E-12 3.94321242069E-12 4.15864961228E-12 4.38548974984E-12 4.62432651862E-12 4.87578427170E-12 5.14051960817E-12 5.41922303233E-12 5.71262069819E-12 6.02147624349E-12 6.34659271793E-12 6.68881461046E-12 7.04902998060E-12 7.42817269932E-12 7.82722480487E-12 8.24721897965E-12 8.68924115423E-12 9.15443324505E-12 9.64399603276E-12 1.01591921882E-11 1.07013494539E-11 1.12718639886E-11 1.18722038839E-11 1.25039128613E-11 1.31686141585E-11 1.38680146159E-11 1.46039089724E-11 1.53781843822E-11 1.61928251626E-11 1.70499177863E-11 1.79516561294E-11 1.89003469890E-11 1.98984158839E-11 2.09484131529E-11 2.20530203662E-11 2.32150570656E-11 2.44374878511E-11 2.57234298303E-11 2.70761604507E-11 2.84991257340E-11 2.99959489322E-11 3.15704396286E-11 3.32266033054E-11 3.49686514022E-11 3.68010118906E-11 3.87283403918E-11 4.07555318635E-11 4.28877328876E-11 4.51303545880E-11 4.74890862102E-11 4.99699093990E-11 5.25791132076E-11 5.53233098774E-11 5.82094514265E-11 6.12448470903E-11 6.44371816554E-11 6.77945347354E-11 7.13254010346E-11 7.50387116514E-11 7.89438564744E-11 8.30507077278E-11 8.73696447238E-11 9.19115798853E-11 9.66879861030E-11 1.01710925496E-10 1.06993079648E-10 1.12547781392E-10 1.18389048231E-10 1.24531617465E-10 1.30990983125E-10 1.37783434802E-10 1.44926098463E-10 1.52436979367E-10 1.60335007172E-10 1.68640083367E-10 1.77373131130E-10 1.86556147745E-10 1.96212259702E-10 2.06365780636E-10 2.17042272222E-10 2.28268608205E-10 2.40073041705E-10 2.52485275981E-10 2.65536538820E-10 2.79259660741E-10 2.93689157212E-10 3.08861315081E-10 3.24814283441E-10 3.41588169155E-10 3.59225137277E-10 3.77769516628E-10 3.97267910780E-10 4.17769314737E-10 4.39325237598E-10 4.61989831507E-10 4.85820027221E-10 5.10875676625E-10 5.37219702561E-10 5.64918256335E-10 5.94040883302E-10 6.24660696946E-10 6.56854561885E-10 6.90703286255E-10 7.26291823968E-10 7.63709487336E-10 8.03050170601E-10 8.44412584925E-10 8.87900505431E-10 9.33623030913E-10 9.81694856863E-10 1.03223656250E-09 1.08537491250E-09 1.14124317423E-09 1.19998145125E-09 1.26173703385E-09 1.32666476764E-09 1.39492744101E-09 1.46669619245E-09 1.54215093878E-09 1.62148082529E-09 1.70488469904E-09 1.79257160634E-09 1.88476131580E-09 1.98168486819E-09 2.08358515447E-09 2.19071752349E-09 2.30335042083E-09 2.42176606039E-09 2.54626113047E-09 2.67714753597E-09 2.81475317869E-09 2.95942277769E-09 3.11151873161E-09 3.27142202529E-09 3.43953318284E-09 3.61627326957E-09 3.80208494535E-09 3.99743357189E-09 4.20280837689E-09 4.41872367779E-09 4.64572016835E-09 4.88436627117E-09 5.13525955951E-09 5.39902825209E-09 5.67633278448E-09 5.96786746108E-09 6.27436219183E-09 6.59658431790E-09 6.93534053108E-09 7.29147889149E-09 7.66589094881E-09 8.05951397228E-09 8.47333329496E-09 8.90838477830E-09 9.36575740298E-09 9.84659599267E-09 1.03521040774E-08 1.08835469036E-08 1.14422545989E-08 1.20296254988E-08 1.26471296440E-08 1.32963124570E-08 1.39787986075E-08 1.46962960757E-08 1.54506004240E-08 1.62435992876E-08 1.70772770958E-08 1.79537200349E-08 1.88751212657E-08 1.98437864084E-08 2.08621393093E-08 2.19327281024E-08 2.30582315820E-08 2.42414659026E-08 2.54853916217E-08 2.67931211036E-08 2.81679263036E-08 2.96132469506E-08 3.11326991493E-08 3.27300844238E-08 3.44093992250E-08 3.61748449243E-08 3.80308383215E-08 3.99820226900E-08 4.20332793891E-08 4.41897400711E-08 4.64567995150E-08 4.88401291177E-08 5.13456910769E-08 5.39797533014E-08 5.67489050859E-08 5.96600735895E-08 6.27205411584E-08 6.59379635383E-08 6.93203890188E-08 7.28762785604E-08 7.66145269536E-08 8.05444850621E-08 8.46759832071E-08 8.90193557502E-08 9.35854669369E-08 9.83857380650E-08 1.03432176046E-07 1.08737403432E-07 1.14314689978E-07 1.20177985829E-07 1.26341956405E-07 1.32822019071E-07 1.39634381695E-07 1.46796083177E-07 1.54325036058E-07 1.62240071313E-07 1.70560985444E-07 1.79308589980E-07 1.88504763523E-07 1.98172506457E-07 2.08335998465E-07 2.19020658994E-07 2.30253210821E-07 2.42061746874E-07 2.54475800487E-07 2.67526419248E-07 2.81246242640E-07 2.95669583660E-07 3.10832514623E-07 3.26772957364E-07 3.43530778070E-07 3.61147886964E-07 3.79668343112E-07 3.99138464597E-07 4.19606944339E-07 4.41124971858E-07 4.63746361284E-07 4.87527685915E-07 5.12528419695E-07 5.38811085924E-07 5.66441413612E-07 5.95488501834E-07 6.26024992523E-07 6.58127252112E-07 6.91875562501E-07 7.27354321804E-07 7.64652255392E-07 8.03862637763E-07 8.45083525774E-07 8.88418003845E-07 9.33974441727E-07 9.81866765483E-07 1.03221474238E-06 1.08514428034E-06 1.14078774284E-06 1.19928427983E-06 1.26078017573E-06 1.32542921518E-06 1.39339306764E-06 1.46484169160E-06 1.53995375958E-06 1.61891710494E-06 1.70192919150E-06 1.78919760738E-06 1.88094058401E-06 1.97738754188E-06 2.07877966415E-06 2.18537049979E-06 2.29742659755E-06 2.41522817247E-06 2.53906980656E-06 2.66926118540E-06 2.80612787254E-06 2.95001212351E-06 3.10127374166E-06 3.26029097784E-06 3.42746147623E-06 3.60320326857E-06 3.78795581950E-06 3.98218112542E-06 4.18636486964E-06 4.40101763687E-06 4.62667618987E-06 4.86390481161E-06 5.11329671621E-06 5.37547553223E-06 5.65109686202E-06 5.94084992098E-06 6.24545926086E-06 6.56568658148E-06 6.90233263521E-06 7.25623922920E-06 7.62829133019E-06 8.01941927727E-06 8.43060110800E-06 8.86286500391E-06 9.31729186123E-06 9.79501799351E-06 1.02972379727E-05 1.08252076161E-05 1.13802471260E-05 1.19637443907E-05 1.25771584545E-05 1.32220231658E-05 1.38999510119E-05 1.46126371507E-05 1.53618636487E-05 1.61495039367E-05 1.69775274934E-05 1.78480047696E-05 1.87631123645E-05 1.97251384673E-05 2.07364885778E-05 2.17996915203E-05 2.29174057657E-05 2.40924260776E-05 2.53276904993E-05 2.66262876981E-05 2.79914646874E-05 2.94266349433E-05 3.09353869378E-05 3.25214931093E-05 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