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 1.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 1S 1 0 1.00 0.00000000000 1.20000000000 -0.46731593200 0 Version Number H Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 1.00000000000 Z valence -0.89170443074 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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1.95086059997E-01 1.98670289724E-01 2.02325262014E-01 2.06052696388E-01 2.09854369924E-01 2.13732121459E-01 2.17687847744E-01 2.21723515288E-01 2.25841152725E-01 2.30042864258E-01 2.34330823394E-01 2.38707283514E-01 2.43174576094E-01 2.47735117649E-01 2.52391410731E-01 2.57146049469E-01 2.62001723836E-01 2.66961221826E-01 2.72027435607E-01 2.77203365033E-01 2.82492123712E-01 2.87896940862E-01 2.93421170114E-01 2.99068291786E-01 3.04841919680E-01 3.10745805962E-01 3.16783847116E-01 3.22960090488E-01 3.29278737900E-01 3.35744155494E-01 3.42360875530E-01 3.49133607371E-01 3.56067239248E-01 3.63166848102E-01 3.70437704640E-01 3.77885278775E-01 3.85515247774E-01 3.93333500906E-01 4.01346145013E-01 4.09559511459E-01 4.17980159779E-01 4.26614883356E-01 4.35470711605E-01 4.44554916044E-01 4.53875009451E-01 4.63438748868E-01 4.73254135299E-01 4.83329410699E-01 4.93673057263E-01 5.04293788275E-01 5.15200543546E-01 5.26402477446E-01 5.37908944738E-01 5.49729484955E-01 5.61873799925E-01 5.74351729031E-01 5.87173218250E-01 6.00348283563E-01 6.13886968653E-01 6.27799294561E-01 6.42095202724E-01 6.56784487206E-01 6.71876718909E-01 6.87381158908E-01 7.03306658517E-01 7.19661547873E-01 7.36453509455E-01 7.53689436022E-01 7.71375272898E-01 7.89515839386E-01 8.08114633832E-01 8.27173614763E-01 8.46692961026E-01 8.66670807016E-01 8.87102954272E-01 9.07982553773E-01 9.29299763324E-01 9.51041374849E-01 9.73190413960E-01 9.95725707022E-01 1.01862142550E+00 1.04184659420E+00 1.06536457919E+00 1.08913254863E+00 1.11310091221E+00 1.13721274593E+00 1.16140320524E+00 1.18559893593E+00 1.20971749130E+00 1.23366676835E+00 1.25734447549E+00 1.28063765038E+00 1.30342224528E+00 1.32556280604E+00 1.34691226772E+00 1.36731190055E+00 1.38659143745E+00 1.40456942518E+00 1.42105383530E+00 1.43584298899E+00 1.44872683635E+00 1.45948864871E+00 1.46790717271E+00 1.47375930031E+00 1.47682330656E+00 1.47688269686E+00 1.47373070451E+00 1.46717545748E+00 1.45704582163E+00 1.44319789590E+00 1.42552210501E+00 1.40395078923E+00 1.37846613721E+00 1.34910824136E+00 1.31598297555E+00 1.27926930325E+00 1.23922551965E+00 1.19619381592E+00 1.15060243915E+00 1.10296460091E+00 1.05387319658E+00 1.00399033491E+00 9.54030689261E-01 9.04737806543E-01 8.56852811878E-01 8.11075510612E-01 7.68018848826E-01 7.28159199712E-01 6.91787242097E-01 6.58967589169E-01 6.27729422991E-01 5.93489376145E-01 5.53797704290E-01 5.05997519890E-01 4.47533124640E-01 3.76560883622E-01 2.92943629845E-01 1.99803348578E-01 1.05839691231E-01 2.89513971964E-02 -4.50472807748E-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 6.03503150533E-05 1.21726321742E-04 1.84166879193E-04 2.47658096341E-04 3.12240064608E-04 3.77937633284E-04 4.44740182239E-04 5.12703735814E-04 5.81800896109E-04 6.52109349220E-04 7.23602686900E-04 7.96331012101E-04 8.70282935202E-04 9.45518647949E-04 1.02203489666E-03 1.09984833522E-03 1.17901541605E-03 1.25950307112E-03 1.34140773550E-03 1.42466405067E-03 1.50939614842E-03 1.59554319637E-03 1.68316912637E-03 1.77229772125E-03 1.86294892676E-03 1.95515425453E-03 2.04892117576E-03 2.14432738059E-03 2.24129847181E-03 2.34002691815E-03 2.44034012081E-03 2.54243706043E-03 2.64626012081E-03 2.75184745825E-03 2.85927767231E-03 2.96849217638E-03 3.07961716394E-03 3.19262502759E-03 3.30757540403E-03 3.42448605164E-03 3.54339615710E-03 3.66434819790E-03 3.78736930659E-03 3.91249056721E-03 4.03974266795E-03 4.16920249905E-03 4.30085290105E-03 4.43475740502E-03 4.57097522821E-03 4.70950435437E-03 4.85041780691E-03 4.99374158409E-03 5.13949623155E-03 5.28779509313E-03 5.43858710405E-03 5.59200198153E-03 5.74800034551E-03 5.90670942738E-03 6.06812421606E-03 6.23230468235E-03 6.39928892481E-03 6.56916039779E-03 6.74192172192E-03 6.91763940283E-03 7.09640131273E-03 7.27819536204E-03 7.46313648746E-03 7.65121790972E-03 7.84254891610E-03 8.03715436698E-03 8.23512127999E-03 8.43643274406E-03 8.64125498999E-03 8.84956838780E-03 9.06146989717E-03 9.27698932651E-03 9.49623767642E-03 9.71924178652E-03 9.94606470988E-03 1.01768164499E-02 1.04115222086E-02 1.06502460909E-02 1.08931026954E-02 1.11401302214E-02 1.13913953105E-02 1.16470169139E-02 1.19070067723E-02 1.21714955077E-02 1.24405364036E-02 1.27142129548E-02 1.29926159306E-02 1.32758097589E-02 1.35638900358E-02 1.38569581202E-02 1.41550682901E-02 1.44583460686E-02 1.47668267837E-02 1.50807018248E-02 1.53999480214E-02 1.57247493690E-02 1.60551593256E-02 1.63913041744E-02 1.67332616166E-02 1.70811428542E-02 1.74350803889E-02 1.77951475775E-02 1.81614561469E-02 1.85341458980E-02 1.89133078779E-02 1.92990690101E-02 1.96915396294E-02 2.00908468416E-02 2.04971305885E-02 2.09104734015E-02 2.13310533600E-02 2.17589807375E-02 2.21943718095E-02 2.26373999710E-02 2.30881753281E-02 2.35468665798E-02 2.40135857525E-02 2.44885117131E-02 2.49717930806E-02 2.54635598221E-02 2.59640034833E-02 2.64732622315E-02 2.69915091556E-02 2.75189246301E-02 2.80556570835E-02 2.86019149241E-02 2.91578434059E-02 2.97236560787E-02 3.02995156916E-02 3.08856542636E-02 3.14822181225E-02 3.20894555393E-02 3.27075440922E-02 3.33367008179E-02 3.39771502653E-02 3.46291204548E-02 3.52928037749E-02 3.59684774050E-02 3.66563459406E-02 3.73566692052E-02 3.80696914322E-02 3.87956684430E-02 3.95348651471E-02 4.02875612575E-02 4.10539926794E-02 4.18344985514E-02 4.26293301104E-02 4.34387947426E-02 4.42631959362E-02 4.51028589303E-02 4.59580923108E-02 4.68292378889E-02 4.77166147688E-02 4.86206104829E-02 4.95415348926E-02 5.04798040618E-02 5.14357549241E-02 5.24098151652E-02 5.34023530615E-02 5.44138056452E-02 5.54445822937E-02 5.64951264833E-02 5.75658883660E-02 5.86573230468E-02 5.97699150449E-02 6.09041636845E-02 6.20605528348E-02 6.32396249628E-02 6.44419090450E-02 6.56679568625E-02 6.69183483825E-02 6.81936738382E-02 6.94945342438E-02 7.08215602255E-02 7.21754068393E-02 7.35567376227E-02 7.49662554094E-02 7.64046516132E-02 7.78726846258E-02 7.93711166199E-02 8.09007274944E-02 8.24623310288E-02 8.40567789352E-02 8.56849354330E-02 8.73477051027E-02 8.90460162715E-02 9.07808369202E-02 9.25531607194E-02 9.43640262335E-02 9.62144929485E-02 9.81056770922E-02 1.00038717025E-01 1.02014797672E-01 1.04035155360E-01 1.06101046483E-01 1.08213802226E-01 1.10374778500E-01 1.12585387709E-01 1.14847093229E-01 1.17161414051E-01 1.19529910901E-01 1.21954221875E-01 1.24436016155E-01 1.26977054497E-01 1.29579127632E-01 1.32244118710E-01 1.34973964663E-01 1.37770660519E-01 1.40636302594E-01 1.43573029348E-01 1.46583074600E-01 1.49668742884E-01 1.52832416271E-01 1.56076572192E-01 1.59403755762E-01 1.62816614331E-01 1.66317875120E-01 1.69910361150E-01 1.73596992307E-01 1.77380775656E-01 1.81264825603E-01 1.85252350870E-01 1.89346664549E-01 1.93551180935E-01 1.97869415653E-01 2.02305001765E-01 2.06861660553E-01 2.11543240348E-01 2.16353677524E-01 2.21297033559E-01 2.26377460917E-01 2.31599228480E-01 2.36966705577E-01 2.42484363075E-01 2.48156771859E-01 2.53988596301E-01 2.59984598669E-01 2.66149620216E-01 2.72488587052E-01 2.79006495580E-01 2.85708409971E-01 2.92599448305E-01 2.99684768854E-01 3.06969570171E-01 3.14459059887E-01 3.22158451845E-01 3.30072942425E-01 3.38207693225E-01 3.46567803704E-01 3.55158297244E-01 3.63984078893E-01 3.73049922828E-01 3.82360421755E-01 3.91919966381E-01 4.01732694560E-01 4.11802454866E-01 4.22132756114E-01 4.32726720107E-01 4.43587019010E-01 4.54715824822E-01 4.66114739835E-01 4.77784725131E-01 4.89726029466E-01 5.01938110385E-01 5.14419542977E-01 5.27167932622E-01 5.40179818351E-01 5.53450562874E-01 5.66974256410E-01 5.80743582462E-01 5.94749712711E-01 6.08982171744E-01 6.23428699163E-01 6.38075120254E-01 6.52905189784E-01 6.67900450656E-01 6.83040073555E-01 6.98300699460E-01 7.13656279823E-01 7.29077908162E-01 7.44533662669E-01 7.59988429877E-01 7.75403751655E-01 7.90737661145E-01 8.05944526751E-01 8.20974908867E-01 8.35775420330E-01 8.50288602810E-01 8.64452821686E-01 8.78202170870E-01 8.91466412791E-01 9.04170934303E-01 9.16236738611E-01 9.27580469097E-01 9.38114477604E-01 9.47746927685E-01 9.56381953916E-01 9.63919870524E-01 9.70257440019E-01 9.75288191476E-01 9.78902829552E-01 9.80989673973E-01 9.81435204173E-01 9.80124650211E-01 9.76942661742E-01 9.71774045146E-01 9.64504557456E-01 9.55021760631E-01 9.43215913434E-01 9.28980900759E-01 9.12215169440E-01 8.92822660215E-01 8.70713698708E-01 8.45805825539E-01 8.18024516411E-01 7.87303764041E-01 7.53586463760E-01 7.16824568148E-01 6.76978937304E-01 6.34018862418E-01 5.87921179259E-01 5.38668955918E-01 4.86249704630E-01 4.30653104937E-01 3.71868259468E-01 3.09880508388E-01 2.44667922409E-01 1.76197614824E-01 1.04422134846E-01 2.92762817622E-02 -4.93251642846E-02 -1.31488155015E-01 -2.17337681183E-01 -3.07012605143E-01 -4.00655675445E-01 -4.98397083583E-01 -6.00329587088E-01 -7.06472882134E-01 -8.16724540673E-01 -9.30794529838E-01 -1.04812006276E+00 -1.16775743841E+00 -1.28824766730E+00 -1.40745318384E+00 -1.52236403368E+00 -1.62887384650E+00 -1.72152898814E+00 -1.79325908133E+00 -1.83510416552E+00 -1.83596404233E+00 -1.79804648754E+00 -1.73938446332E+00 -1.65309550962E+00 -1.53157065888E+00 -1.36797475116E+00 -1.15816299546E+00 -9.03730078997E-01 -6.16646368203E-01 -3.26083052661E-01 -8.87882729921E-02 1.34638181255E-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 5.79720207078E-01 1 2 1.40770204421E+00 2 2 2.47015441477E+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)) 2.40766327435E-01 Q_int 0.00000000000E+00 1.56962386237E-08 6.38627599258E-08 1.46164896491E-07 2.64334724943E-07 4.20173526047E-07 6.15554332300E-07 8.52424566059E-07 1.13280877138E-06 1.45881144282E-06 1.83261995465E-06 2.25650759385E-06 2.73283670070E-06 3.26406192053E-06 3.85273357060E-06 4.50150112619E-06 5.21311682987E-06 5.99043942839E-06 6.83643804162E-06 7.75419616807E-06 8.74691583177E-06 9.81792187549E-06 1.09706664053E-05 1.22087333917E-05 1.35358434331E-05 1.49558586865E-05 1.64727879723E-05 1.80907920583E-05 1.98141891296E-05 2.16474604508E-05 2.35952562267E-05 2.56624016695E-05 2.78539032787E-05 3.01749553406E-05 3.26309466569E-05 3.52274675081E-05 3.79703168619E-05 4.08655098329E-05 4.39192854044E-05 4.71381144201E-05 5.05287078548E-05 5.40980253755E-05 5.78532842001E-05 6.18019682670E-05 6.59518377241E-05 7.03109387490E-05 7.48876137122E-05 7.96905116945E-05 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