Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 22 9 15 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 1.00 0.00000000000 1.20000000000 -0.46537999600 0 Version Number H Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW PSX PSC PBEsol Exchange-Correlation functional 1.00000000000 Z valence -0.89968178757 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 0 Max angular momentum component 615 Number of points in mesh 1 2 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 1.00 0.00000000000E+00 4.23708090800E-05 8.54658880079E-05 1.29297617166E-04 1.73878588562E-04 2.19221609446E-04 2.65339705991E-04 3.12246127033E-04 3.59954347880E-04 4.08478074179E-04 4.57831245860E-04 5.08028041132E-04 5.59082880565E-04 6.11010431224E-04 6.63825610891E-04 7.17543592346E-04 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1.95621103072E-01 1.99213990619E-01 2.02877733549E-01 2.06614049791E-01 2.10424719829E-01 2.14311578777E-01 2.18276526866E-01 2.22321527218E-01 2.26448610718E-01 2.30659879728E-01 2.34957508075E-01 2.39343748077E-01 2.43820930779E-01 2.48391471454E-01 2.53057872491E-01 2.57822725816E-01 2.62688721157E-01 2.67658644821E-01 2.72735386328E-01 2.77921945941E-01 2.83221432936E-01 2.88637076042E-01 2.94172225661E-01 2.99830360629E-01 3.05615090583E-01 3.11530165662E-01 3.17579479340E-01 3.23767073877E-01 3.30097149472E-01 3.36574066600E-01 3.43202354381E-01 3.49986716650E-01 3.56932037056E-01 3.64043387437E-01 3.71326032487E-01 3.78785436672E-01 3.86427270422E-01 3.94257416362E-01 4.02281974218E-01 4.10507268026E-01 4.18939848454E-01 4.27586501014E-01 4.36454246003E-01 4.45550344683E-01 4.54882300375E-01 4.64457858948E-01 4.74285009827E-01 4.84371983488E-01 4.94727248393E-01 5.05359504641E-01 5.16277678302E-01 5.27490906922E-01 5.39008530490E-01 5.50840070575E-01 5.62995210913E-01 5.75483771212E-01 5.88315677148E-01 6.01500922127E-01 6.15049526702E-01 6.28971486867E-01 6.43276716659E-01 6.57974982077E-01 6.73075823010E-01 6.88588467588E-01 7.04521731833E-01 7.20883907742E-01 7.37682636951E-01 7.54924768445E-01 7.72616199262E-01 7.90761698450E-01 8.09364708209E-01 8.28427127589E-01 8.47949070404E-01 8.67928601551E-01 8.88361446011E-01 9.09240672998E-01 9.30556351372E-01 9.52295176691E-01 9.74440070056E-01 9.96969745802E-01 1.01985825256E+00 1.04307448422E+00 1.06658166478E+00 1.09033680933E+00 1.11429016356E+00 1.13838462750E+00 1.16255516795E+00 1.18672823019E+00 1.21082115407E+00 1.23474161080E+00 1.25838707109E+00 1.28164432349E+00 1.30438906113E+00 1.32648556191E+00 1.34778648695E+00 1.36813282843E+00 1.38735404236E+00 1.40526840195E+00 1.42168361696E+00 1.43639776308E+00 1.44920057065E+00 1.45987512672E+00 1.46820003988E+00 1.47395212447E+00 1.47690965253E+00 1.47685621969E+00 1.47358526085E+00 1.46690523962E+00 1.45664551484E+00 1.44266286089E+00 1.42484858851E+00 1.40313616174E+00 1.37750915971E+00 1.34800935957E+00 1.31474463988E+00 1.27789631072E+00 1.23772537150E+00 1.19457708343E+00 1.14888312440E+00 1.10116047923E+00 1.05200611964E+00 1.00208647254E+00 9.52120680599E-01 9.02856789994E-01 8.55040297613E-01 8.09375060652E-01 7.66477530730E-01 7.26826788006E-01 6.90715158884E-01 6.58207603178E-01 6.27310916079E-01 5.93388678986E-01 5.53975435937E-01 5.06397540855E-01 4.48082627242E-01 3.77172895294E-01 2.93523344799E-01 2.00260524026E-01 1.06110030556E-01 2.90318221212E-02 -4.51536514887E-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 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 2 0 Beta L 395 0.00000000000E+00 6.19477216280E-05 1.24944723120E-04 1.89036505170E-04 2.54209819588E-04 3.20497377492E-04 3.87931686996E-04 4.56505074265E-04 5.26258813669E-04 5.97186595838E-04 6.69355056327E-04 7.42742898402E-04 8.17389358714E-04 8.93295382234E-04 9.70533832135E-04 1.04905346085E-03 1.12893661828E-03 1.21019181708E-03 1.29281316995E-03 1.37688155799E-03 1.46234545645E-03 1.54930725152E-03 1.63773147374E-03 1.72769369332E-03 1.81915642018E-03 1.91221458898E-03 2.00686211602E-03 2.10310548798E-03 2.20101967039E-03 2.30058965283E-03 2.40188870177E-03 2.50488395759E-03 2.60966654215E-03 2.71623790336E-03 2.82461870876E-03 2.93487633155E-03 3.04699690189E-03 3.16105509384E-03 3.27703795980E-03 3.39504959563E-03 3.51503382803E-03 3.63708676681E-03 3.76124552916E-03 3.88750715838E-03 4.01594283231E-03 4.14656661112E-03 4.27941857026E-03 4.41459031605E-03 4.55200485740E-03 4.69183586260E-03 4.83401667973E-03 4.97865953004E-03 5.12576282186E-03 5.27538296731E-03 5.42759624131E-03 5.58235822649E-03 5.73982963315E-03 5.89996678096E-03 6.06285537106E-03 6.22853561474E-03 6.39705096629E-03 6.56845848790E-03 6.74278406276E-03 6.92013445485E-03 7.10049557484E-03 7.28395519712E-03 7.47057601917E-03 7.66036309856E-03 7.85344356226E-03 8.04980133638E-03 8.24956683375E-03 8.45271880988E-03 8.65938874208E-03 8.86957616945E-03 9.08341271238E-03 9.30087785616E-03 9.52209704489E-03 9.74712183424E-03 9.97600371482E-03 1.02088156040E-02 1.04456437190E-02 1.06865213519E-02 1.09315578105E-02 1.11808028591E-02 1.14343230087E-02 1.16922293854E-02 1.19545569537E-02 1.22214149646E-02 1.24928513777E-02 1.27689661994E-02 1.30498609405E-02 1.33355658375E-02 1.36262218007E-02 1.39218654607E-02 1.42226357356E-02 1.45285863501E-02 1.48398201787E-02 1.51564160882E-02 1.54785162264E-02 1.58061411479E-02 1.61394758593E-02 1.64785403861E-02 1.68235000712E-02 1.71744160130E-02 1.75314234629E-02 1.78946111038E-02 1.82641078591E-02 1.86400152091E-02 1.90224350180E-02 1.94115152148E-02 1.98073566721E-02 2.02100787120E-02 2.06198020258E-02 2.10366894705E-02 2.14608151801E-02 2.18923455084E-02 2.23314181422E-02 2.27781472736E-02 2.32327011174E-02 2.36951915207E-02 2.41657922697E-02 2.46446313634E-02 2.51318811995E-02 2.56276774064E-02 2.61321922932E-02 2.66455757679E-02 2.71680069918E-02 2.76996474725E-02 2.82406631638E-02 2.87912484508E-02 2.93515661545E-02 2.99218086113E-02 3.05021625750E-02 3.10928176928E-02 3.16939753214E-02 3.23058360211E-02 3.29286090041E-02 3.35624875198E-02 3.42077139417E-02 3.48644853983E-02 3.55330401421E-02 3.62136085907E-02 3.69064158181E-02 3.76117274660E-02 3.83297632287E-02 3.90607883740E-02 3.98050880839E-02 4.05628751639E-02 4.13344844412E-02 4.21201416437E-02 4.29201752119E-02 4.37348612556E-02 4.45644987501E-02 4.54094041826E-02 4.62698957874E-02 4.71463069045E-02 4.80389592166E-02 4.89482072526E-02 4.98743963902E-02 5.08179059485E-02 5.17790889588E-02 5.27583367193E-02 5.37560623489E-02 5.47726445588E-02 5.58085060973E-02 5.68640967333E-02 5.79398334712E-02 5.90361839505E-02 6.01536121216E-02 6.12926019545E-02 6.24536469009E-02 6.36372612945E-02 6.48439758424E-02 6.60743114621E-02 6.73288603549E-02 6.86081729915E-02 6.99128615842E-02 7.12435259459E-02 7.26008091268E-02 7.39853540110E-02 7.53978518007E-02 7.68389751716E-02 7.83094691507E-02 7.98100473204E-02 8.13415043479E-02 8.29046094237E-02 8.45001961916E-02 8.61291004611E-02 8.77922005286E-02 8.94904083773E-02 9.12246409753E-02 9.29958822412E-02 9.48051186167E-02 9.66533972136E-02 9.85417769865E-02 1.00471373216E-01 1.02443327170E-01 1.04458826948E-01 1.06519102583E-01 1.08625419569E-01 1.10779101844E-01 1.12981503285E-01 1.15234041715E-01 1.17538172498E-01 1.19895412590E-01 1.22307325276E-01 1.24775536934E-01 1.27301718331E-01 1.29887621866E-01 1.32535034043E-01 1.35245832356E-01 1.38021943144E-01 1.40865357355E-01 1.43778161232E-01 1.46762476853E-01 1.49820538063E-01 1.52954627389E-01 1.56167122952E-01 1.59460478951E-01 1.62837230657E-01 1.66300003748E-01 1.69851516573E-01 1.73494562679E-01 1.77232043368E-01 1.81066949384E-01 1.85002362981E-01 1.89041470902E-01 1.93187562706E-01 1.97444010505E-01 2.01814317196E-01 2.06302064410E-01 2.10910954433E-01 2.15644783432E-01 2.20507459788E-01 2.25502996870E-01 2.30635504953E-01 2.35909206914E-01 2.41328420360E-01 2.46897565608E-01 2.52621160241E-01 2.58503807721E-01 2.64550214355E-01 2.70765155610E-01 2.77153487590E-01 2.83720145916E-01 2.90470112636E-01 2.97408433986E-01 3.04540188601E-01 3.11870492605E-01 3.19404464127E-01 3.27147228762E-01 3.35103891261E-01 3.43279507975E-01 3.51679086497E-01 3.60307538421E-01 3.69169664071E-01 3.78270122434E-01 3.87613390160E-01 3.97203738783E-01 4.07045181906E-01 4.17141440304E-01 4.27495892718E-01 4.38111524308E-01 4.48990871350E-01 4.60135965163E-01 4.71548260729E-01 4.83228575543E-01 4.95177007670E-01 5.07392861080E-01 5.19874559140E-01 5.32619549880E-01 5.45624214883E-01 5.58883760964E-01 5.72392115765E-01 5.86141805619E-01 6.00123846391E-01 6.14327598670E-01 6.28740652052E-01 6.43348674546E-01 6.58135270973E-01 6.73081835598E-01 6.88167397214E-01 7.03368456916E-01 7.18658834705E-01 7.34009498849E-01 7.49388407036E-01 7.64760338056E-01 7.80086732241E-01 7.95325532328E-01 8.10431027205E-01 8.25353708990E-01 8.40040135903E-01 8.54432808118E-01 8.68470061029E-01 8.82085978097E-01 8.95210321786E-01 9.07768496642E-01 9.19681538725E-01 9.30866141925E-01 9.41234720746E-01 9.50695519446E-01 9.59152769058E-01 9.66506892138E-01 9.72654773925E-01 9.77490081228E-01 9.80903661173E-01 9.82783991757E-01 9.83017714597E-01 9.81490226929E-01 9.78086351120E-01 9.72691066183E-01 9.65190300219E-01 9.55471784127E-01 9.43425941116E-01 9.28946813183E-01 9.11932999399E-01 8.92288585621E-01 8.69924038829E-01 8.44757038893E-01 8.16713206565E-01 7.85726688888E-01 7.51740562446E-01 7.14706992505E-01 6.74587112905E-01 6.31350563759E-01 5.84974637639E-01 5.35443003386E-01 4.82743955033E-01 4.26868187777E-01 3.67806104511E-01 3.05544699202E-01 2.40064113550E-01 1.71334030308E-01 9.93101450362E-02 2.39310626374E-02 -5.48838858692E-02 -1.37235282652E-01 -2.23241863283E-01 -3.13035304525E-01 -4.06750223499E-01 -5.04507762337E-01 -6.06390800504E-01 -7.12408488752E-01 -8.22447456184E-01 -9.36206716792E-01 -1.05311306808E+00 -1.17221365646E+00 -1.29204254614E+00 -1.41045860936E+00 -1.52445315508E+00 -1.62992760096E+00 -1.72144456989E+00 -1.79196053939E+00 -1.83255519402E+00 -1.83218282777E+00 -1.79310263021E+00 -1.73344227777E+00 -1.64640206412E+00 -1.52446549148E+00 -1.36088738543E+00 -1.15159406610E+00 -8.98206590915E-01 -6.12636272875E-01 -3.23849874128E-01 -8.81525742378E-02 1.33709261922E-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 0.00000000000E+00 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 5.86699937745E-01 1 2 1.42497397560E+00 2 2 2.50505091867E+00 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 7.00000000000E-01 1 1 0 i j (l(j)) 2.42959811565E-01 Q_int 0.00000000000E+00 1.58446979847E-08 6.44667915512E-08 1.47547364458E-07 2.66834875786E-07 4.24147643309E-07 6.21376415176E-07 8.60487032997E-07 1.14352318951E-06 1.47260928417E-06 1.84995338001E-06 2.27785026537E-06 2.75868462419E-06 3.29493431847E-06 3.88917378707E-06 4.54407756470E-06 5.26242392537E-06 6.04709865460E-06 6.90109895497E-06 7.82753748952E-06 8.82964656785E-06 9.91078247994E-06 1.10744299827E-05 1.23242069449E-05 1.36638691551E-05 1.50973152996E-05 1.66285921152E-05 1.82618997234E-05 2.00015971516E-05 2.18522080491E-05 2.38184266037E-05 2.59051236656E-05 2.81173530867E-05 3.04603582821E-05 3.29395790221E-05 3.55606584612E-05 3.83294504150E-05 4.12520268903E-05 4.43346858801E-05 4.75839594304E-05 5.10066219901E-05 5.46096990518E-05 5.84004760954E-05 6.23865078437E-05 6.65756278414E-05 7.09759583683E-05 7.55959206985E-05 8.04442457171E-05 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