Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 0 The Pseudo was generated with a Non-Relativistic Calculation 1.40000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 2.00 0.00000000000 1.30000000000 -4.00975850800 2S 2 0 0.55 0.00000000000 1.30000000000 -0.37295940400 2P 2 1 0.00 0.00000000000 2.00100000000 -0.23021471300 0 Version Number Li Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 3.00000000000 Z valence -14.01364024130 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 1 Max angular momentum component 751 Number of points in mesh 3 5 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 1S 0 2.00 2S 0 0.55 2P 1 0.00 0.00000000000E+00 5.10846319546E-06 1.03027809112E-05 1.55843960465E-05 2.09547757508E-05 2.64154118307E-05 3.19678211647E-05 3.76135461243E-05 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-1.11891630148E+00 -1.05755764023E+00 -9.81413907799E-01 -8.90805969533E-01 -7.86650787825E-01 -6.70665425249E-01 -5.45632830745E-01 -4.15746107842E-01 -2.87054265430E-01 -1.68053726020E-01 -7.03169454147E-02 -1.06404195161E-02 7.40057323015E-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 9 Number of nonzero Dij 1 1 2.78260819826E+01 1 2 -2.09457546522E+01 1 3 5.39264317283E+01 2 2 9.24788590225E+00 2 3 -3.74854860840E+01 3 3 9.47302464296E+01 4 4 9.44789092809E+00 4 5 1.06236272667E+01 5 5 1.18906584794E+01 10 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.15000000000E+00 2 1.15000000000E+00 3 1.15000000000E+00 1 1 0 i j (l(j)) 4.41486220877E+00 Q_int 0.00000000000E+00 4.32462078143E-09 1.75904286415E-08 4.02482911198E-08 7.27668420029E-08 1.15633125259E-07 1.69353261501E-07 2.34453137748E-07 3.11479121300E-07 4.00998798538E-07 5.03601739521E-07 6.19900289259E-07 7.50530386581E-07 8.96152411551E-07 1.05745206240E-06 1.23514126301E-06 1.42995910197E-06 1.64267280430E-06 1.87407873701E-06 2.12500344955E-06 2.39630475047E-06 2.68887282143E-06 3.00363136989E-06 3.34153882186E-06 3.70358955592E-06 4.09081518013E-06 4.50428585315E-06 4.94511165110E-06 5.41444398185E-06 5.91347704822E-06 6.44344936181E-06 7.00564530920E-06 7.60139677240E-06 8.23208480522E-06 8.89914136760E-06 9.60405111996E-06 1.03483532793E-05 1.11336435398E-05 1.19615760591E-05 1.28338655136E-05 1.37522892248E-05 1.47186893581E-05 1.57349751986E-05 1.68031255044E-05 1.79251909412E-05 1.91032966012E-05 2.03396446081E-05 2.16365168124E-05 2.29962775789E-05 2.44213766703E-05 2.59143522305E-05 2.74778338695E-05 2.91145458554E-05 3.08273104154E-05 3.26190511504E-05 3.44927965673E-05 3.64516837321E-05 3.84989620489E-05 4.06379971681E-05 4.28722750294E-05 4.52054060433E-05 4.76411294157E-05 5.01833176214E-05 5.28359810305E-05 5.56032726945E-05 5.84894932946E-05 6.14990962618E-05 6.46366930706E-05 6.79070587154E-05 7.13151373737E-05 7.48660482636E-05 7.85650917020E-05 8.24177553698E-05 8.64297207920E-05 9.06068700393E-05 9.49552926592E-05 9.94812928445E-05 1.04191396846E-04 1.09092360640E-04 1.14191177858E-04 1.19495087985E-04 1.25011584842E-04 1.30748425357E-04 1.36713638633E-04 1.42915535330E-04 1.49362717364E-04 1.56064087943E-04 1.63028861934E-04 1.70266576603E-04 1.77787102699E-04 1.85600655936E-04 1.93717808858E-04 2.02149503105E-04 2.10907062109E-04 2.20002204213E-04 2.29447056242E-04 2.39254167539E-04 2.49436524473E-04 2.60007565448E-04 2.70981196426E-04 2.82371806967E-04 2.94194286832E-04 3.06464043137E-04 3.19197018107E-04 3.32409707419E-04 3.46119179182E-04 3.60343093561E-04 3.75099723066E-04 3.90407973533E-04 4.06287405826E-04 4.22758258269E-04 4.39841469850E-04 4.57558704208E-04 4.75932374443E-04 4.94985668765E-04 5.14742577023E-04 5.35227918128E-04 5.56467368419E-04 5.78487490987E-04 6.01315765998E-04 6.24980622055E-04 6.49511468612E-04 6.74938729509E-04 7.01293877631E-04 7.28609470757E-04 7.56919188623E-04 7.86257871245E-04 8.16661558551E-04 8.48167531347E-04 8.80814353694E-04 9.14641916709E-04 9.49691483861E-04 9.86005737811E-04 1.02362882884E-03 1.06260642490E-03 1.10298576342E-03 1.14481570482E-03 1.18814678786E-03 1.23303128688E-03 1.27952327094E-03 1.32767866506E-03 1.37755531342E-03 1.42921304481E-03 1.48271374023E-03 1.53812140283E-03 1.59550223019E-03 1.65492468907E-03 1.71645959270E-03 1.78018018070E-03 1.84616220165E-03 1.91448399856E-03 1.98522659713E-03 2.05847379714E-03 2.13431226675E-03 2.21283164018E-03 2.29412461862E-03 2.37828707451E-03 2.46541815947E-03 2.55562041577E-03 2.64899989167E-03 2.74566626062E-03 2.84573294447E-03 2.94931724092E-03 3.05654045526E-03 3.16752803651E-03 3.28240971828E-03 3.40131966426E-03 3.52439661880E-03 3.65178406242E-03 3.78363037265E-03 3.92008899038E-03 4.06131859167E-03 4.20748326555E-03 4.35875269769E-03 4.51530236034E-03 4.67731370867E-03 4.84497438377E-03 5.01847842248E-03 5.19802647429E-03 5.38382602557E-03 5.57609163144E-03 5.77504515533E-03 5.98091601673E-03 6.19394144726E-03 6.41436675535E-03 6.64244559989E-03 6.87844027304E-03 7.12262199265E-03 7.37527120444E-03 7.63667789440E-03 7.90714191171E-03 8.18697330252E-03 8.47649265494E-03 8.77603145565E-03 9.08593245848E-03 9.40655006542E-03 9.73825072032E-03 1.00814133160E-02 1.04364296147E-02 1.08037046832E-02 1.11836573417E-02 1.15767206287E-02 1.19833422806E-02 1.24039852280E-02 1.28391281082E-02 1.32892657951E-02 1.37549099467E-02 1.42365895708E-02 1.47348516101E-02 1.52502615458E-02 1.57834040228E-02 1.63348834943E-02 1.69053248889E-02 1.74953742993E-02 1.81056996945E-02 1.87369916550E-02 1.93899641333E-02 2.00653552384E-02 2.07639280478E-02 2.14864714457E-02 2.22338009882E-02 2.30067597992E-02 2.38062194934E-02 2.46330811322E-02 2.54882762093E-02 2.63727676699E-02 2.72875509630E-02 2.82336551287E-02 2.92121439209E-02 3.02241169669E-02 3.12707109655E-02 3.23531009239E-02 3.34725014349E-02 3.46301679969E-02 3.58273983754E-02 3.70655340105E-02 3.83459614689E-02 3.96701139442E-02 4.10394728048E-02 4.24555691930E-02 4.39199856751E-02 4.54343579449E-02 4.70003765827E-02 4.86197888701E-02 5.02944006634E-02 5.20260783273E-02 5.38167507302E-02 5.56684113030E-02 5.75831201639E-02 5.95630063103E-02 6.16102698804E-02 6.37271844865E-02 6.59160996211E-02 6.81794431396E-02 7.05197238201E-02 7.29395340038E-02 7.54415523174E-02 7.80285464800E-02 8.07033761970E-02 8.34689961438E-02 8.63284590399E-02 8.92849188189E-02 9.23416338937E-02 9.55019705222E-02 9.87694062735E-02 1.02147533600E-01 1.05640063514E-01 1.09250829378E-01 1.12983790805E-01 1.16843037672E-01 1.20832794257E-01 1.24957423487E-01 1.29221431326E-01 1.33629471267E-01 1.38186348974E-01 1.42897027041E-01 1.47766629893E-01 1.52800448822E-01 1.58003947161E-01 1.63382765605E-01 1.68942727671E-01 1.74689845314E-01 1.80630324681E-01 1.86770572031E-01 1.93117199799E-01 1.99677032820E-01 2.06457114720E-01 2.13464714449E-01 2.20707332997E-01 2.28192710263E-01 2.35928832087E-01 2.43923937455E-01 2.52186525870E-01 2.60725364885E-01 2.69549497809E-01 2.78668251580E-01 2.88091244800E-01 2.97828395946E-01 3.07889931734E-01 3.18286395650E-01 3.29028656644E-01 3.40127917979E-01 3.51595726227E-01 3.63443980421E-01 3.75684941348E-01 3.88331240975E-01 4.01395892008E-01 4.14892297573E-01 4.28834261004E-01 4.43235995743E-01 4.58112135317E-01 4.73477743405E-01 4.89348323959E-01 5.05739831379E-01 5.22668680710E-01 5.40151757854E-01 5.58206429770E-01 5.76850554640E-01 5.96102491969E-01 6.15981112605E-01 6.36505808630E-01 6.57696503110E-01 6.79573659648E-01 7.02158291711E-01 7.25471971687E-01 7.49536839630E-01 7.74375611630E-01 8.00011587771E-01 8.26468659606E-01 8.53771317097E-01 8.81944654937E-01 9.11014378202E-01 9.41006807242E-01 9.71948881726E-01 1.00386816376E+00 1.03679283998E+00 1.07075172250E+00 1.10577424867E+00 1.14189047938E+00 1.17913109599E+00 1.21752739560E+00 1.25711128451E+00 1.29791526990E+00 1.33997244926E+00 1.38331649779E+00 1.42798165317E+00 1.47400269788E+00 1.52141493858E+00 1.57025418255E+00 1.62055671079E+00 1.67235924764E+00 1.72569892669E+00 1.78061325252E+00 1.83714005831E+00 1.89531745869E+00 1.95518379773E+00 2.01677759168E+00 2.08013746608E+00 2.14530208695E+00 2.21231008561E+00 2.28119997679E+00 2.35201006964E+00 2.42477837109E+00 2.49954248134E+00 2.57633948073E+00 2.65520580785E+00 2.73617712811E+00 2.81928819247E+00 2.90457268569E+00 2.99206306368E+00 3.08179037934E+00 3.17378409637E+00 3.26807189054E+00 3.36467943784E+00 3.46363018890E+00 3.56494512934E+00 3.66864252518E+00 3.77473765319E+00 3.88324251526E+00 3.99416553666E+00 4.10751124750E+00 4.22327994706E+00 4.34146735064E+00 4.46206421857E+00 4.58505596707E+00 4.71042226100E+00 4.83813658804E+00 4.96816581467E+00 5.10046972390E+00 5.23500053488E+00 5.37170240507E+00 5.51051091530E+00 5.65135253849E+00 5.79414409313E+00 5.93879218247E+00 6.08519262108E+00 6.23322985022E+00 6.38277634432E+00 6.53369201065E+00 6.68582358505E+00 6.83900402672E+00 6.99305191564E+00 7.14777085651E+00 7.30294889379E+00 7.45835794272E+00 7.61375324187E+00 7.76887283339E+00 7.92343707764E+00 8.07714820960E+00 8.22968994517E+00 8.38072714598E+00 8.52990555236E+00 8.67685159447E+00 8.82117229264E+00 8.96245525859E+00 9.10026880973E+00 9.23416220990E+00 9.36366604993E+00 9.48829278268E+00 9.60753742719E+00 9.72087845744E+00 9.82777889123E+00 9.92768759517E+00 1.00200408216E+01 1.01042639931E+01 1.01797737504E+01 1.02459802778E+01 1.03022899205E+01 1.03481081055E+01 1.03828425787E+01 1.04059069650E+01 1.04167246589E+01 1.04147330492E+01 1.03993880766E+01 1.03701691209E+01 1.03265842078E+01 1.02681755216E+01 1.01945252036E+01 1.01052614078E+01 1.00000645813E+01 9.87867392537E+00 9.74089398724E+00 9.58660132254E+00 9.41575115811E+00 9.22838397609E+00 9.02463192943E+00 8.80472498876E+00 8.56899671056E+00 8.31788950672E+00 8.05195928685E+00 7.77187933583E+00 7.47844328318E+00 7.17256701462E+00 6.85528937368E+00 6.52777150003E+00 6.19129465333E+00 5.84725637663E+00 5.49716486223E+00 5.14263139579E+00 4.78536077157E+00 4.42713959379E+00 4.06982240547E+00 3.71531561838E+00 3.36555925443E+00 3.02250655191E+00 2.68810153809E+00 2.36425472398E+00 2.05281713817E+00 1.75555298417E+00 1.47411128158E+00 1.20999693618E+00 9.64541779262E-01 7.38876223186E-01 5.33902300123E-01 3.50268982971E-01 1.88350830851E-01 4.82311500645E-02 -7.03089978573E-02 -1.67794494032E-01 -2.45051067922E-01 -3.03189972349E-01 -3.43581238732E-01 -3.67814857302E-01 -3.77650172917E-01 -3.74955279218E-01 -3.61640352278E-01 -3.39591732105E-01 -3.10616974067E-01 -2.76414472831E-01 -2.38583219800E-01 -1.98685968288E-01 -1.58367220324E-01 -1.19496492538E-01 -8.42408656185E-02 -5.48413444683E-02 -3.26591909977E-02 -1.73728267061E-02 -7.88454478778E-03 -2.81901342449E-03 -6.77347840168E-04 -7.34111346486E-05 -6.37784561047E-07 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 0.00000000000E+00 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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