Generated using Vanderbilt code, version 7 3 6 Author: kfg Generation date: 13 4 15 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 1.80000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3P 3 1 6.00 0.00000000000 1.40000000000 -7.86634305400 3D 3 2 10.00 0.00000000000 1.80000000000 -2.03977875300 4S 4 0 2.00 0.00000000000 1.80000000000 -1.22438696500 4P 4 1 0.00 0.00000000000 1.40000000000 -0.68392560200 0 Version Number Ga Element US Ultrasoft pseudopotential T Nonlinear Core Correction SLA PZ NOGX NOGC PZ Exchange-Correlation functional 19.00000000000 Z valence -414.28508080200 Total energy 0.00000 0.00000 Suggested cutoff for wfc and rho 2 Max angular momentum component 871 Number of points in mesh 4 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3P 1 6.00 3D 2 10.00 4S 0 2.00 4P 1 0.00 0.00000000000E+00 1.36680029290E-06 2.75696412929E-06 4.17089087632E-06 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-6.22227192464E-04 -6.54667964949E-04 -6.88795581785E-04 -7.24697447366E-04 -7.62465442775E-04 -8.02196189771E-04 -8.43991251917E-04 -8.87957481051E-04 -9.34207138973E-04 -9.82858317371E-04 -1.03403514095E-03 -1.08786811281E-03 -1.14449441123E-03 -1.20405827841E-03 -1.26671130205E-03 -1.33261285431E-03 -1.40193046385E-03 -1.47484017761E-03 -1.55152708644E-03 -1.63218568528E-03 -1.71702042582E-03 -1.80624608360E-03 -1.90008851975E-03 -1.99878491204E-03 -2.10258461177E-03 -2.21174956255E-03 -2.32655499110E-03 -2.44729011154E-03 -2.57425870779E-03 -2.70777995841E-03 -2.84818913415E-03 -2.99583842691E-03 -3.15109774022E-03 -3.31435560369E-03 -3.48602003582E-03 -3.66651954859E-03 -3.85630407718E-03 -4.05584608461E-03 -4.26564162617E-03 -4.48621143699E-03 -4.71810225138E-03 -4.96188782933E-03 -5.21817055913E-03 -5.48758246253E-03 -5.77078693055E-03 -6.06847993779E-03 -6.38139176835E-03 -6.71028852310E-03 -7.05597382985E-03 -7.41929056387E-03 -7.80112268278E-03 -8.20239710886E-03 -8.62408571140E-03 -9.06720732938E-03 -9.53282990074E-03 -1.00220726987E-02 -1.05361086317E-02 -1.10761665620E-02 -1.16435338903E-02 -1.22395589483E-02 -1.28656539308E-02 -1.35232972478E-02 -1.42140368098E-02 -1.49394926400E-02 -1.57013600172E-02 -1.65014126067E-02 -1.73415057492E-02 -1.82235796828E-02 -1.91496629289E-02 -2.01218760233E-02 -2.11424347937E-02 -2.22136543539E-02 -2.33379526530E-02 -2.45178544259E-02 -2.57559951051E-02 -2.70551248482E-02 -2.84181124705E-02 -2.98479496822E-02 -3.13477552237E-02 -3.29207788513E-02 -3.45704059078E-02 -3.63001609873E-02 -3.81137127818E-02 -4.00148774757E-02 -4.20076235085E-02 -4.40960750792E-02 -4.62845164202E-02 -4.85773952479E-02 -5.09793266074E-02 -5.34950960897E-02 -5.61296630737E-02 -5.88881635052E-02 -6.17759124731E-02 -6.47984062808E-02 -6.79613240699E-02 -7.12705291091E-02 -7.47320692144E-02 -7.83521766671E-02 -8.21372675328E-02 -8.60939396858E-02 -9.02289703982E-02 -9.45493128848E-02 -9.90620909655E-02 -1.03774593454E-01 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-7.48300353840E-01 -7.62143793505E-01 -7.75169991901E-01 -7.87273023975E-01 -7.98342898947E-01 -8.08266059820E-01 -8.16925986553E-01 -8.24203940375E-01 -8.29979834542E-01 -8.34133268001E-01 -8.36544709820E-01 -8.37096866727E-01 -8.35676220751E-01 -8.32174763983E-01 -8.26491921085E-01 -8.18536663409E-01 -8.08229821551E-01 -7.95506569077E-01 -7.80319087021E-01 -7.62639359678E-01 -7.42462099407E-01 -7.19807728196E-01 -6.94725390137E-01 -6.67295897702E-01 -6.37634551620E-01 -6.05893705093E-01 -5.72264971201E-01 -5.36980901065E-01 -5.00315985743E-01 -4.62586759753E-01 -4.24150807256E-01 -3.85404397783E-01 -3.46778503822E-01 -3.08732882724E-01 -2.71747938091E-01 -2.36314031769E-01 -2.02917945319E-01 -1.72026217138E-01 -1.44065102556E-01 -1.19397023471E-01 -9.82934393980E-02 -8.09042908589E-02 -6.72243305491E-02 -5.70570124372E-02 -4.99769290459E-02 -4.52923238686E-02 -4.20097403730E-02 -3.88036362615E-02 -3.39945837797E-02 -2.55406956926E-02 -1.10479516001E-02 1.21936928438E-02 4.71404164608E-02 9.68817512981E-02 1.64475063188E-01 2.52717203176E-01 3.63843972644E-01 4.99150355226E-01 6.58529073424E-01 8.39933277813E-01 1.03878247974E+00 1.24735165000E+00 1.45421459416E+00 1.64385860473E+00 1.79665347451E+00 1.88945189435E+00 1.89723013900E+00 1.79636095762E+00 1.57036635877E+00 1.21931467589E+00 7.74780774822E-01 3.20190160934E-01 4.36317153071E-02 -2.34434039865E-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 9 Number of nonzero Dij 1 1 5.96049622707E-01 1 2 3.81971021141E+00 2 2 -2.31103692439E+00 3 3 -2.54851464380E+00 3 4 -6.57299781519E+00 4 4 1.52113105578E+01 5 5 8.04863901706E+01 5 6 -9.26522170566E+01 6 6 1.06335588717E+02 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 1.25000000000E+00 2 1.25000000000E+00 3 1.25000000000E+00 4 1.25000000000E+00 5 1.25000000000E+00 1 1 0 i j (l(j)) -6.44747919069E-01 Q_int 0.00000000000E+00 6.30652790200E-13 2.56591594844E-12 5.87270045604E-12 1.06205991850E-11 1.68819857752E-11 2.47321170302E-11 3.42492389547E-11 4.55146965624E-11 5.86130475836E-11 7.36321802120E-11 9.06634350297E-11 1.09801731257E-10 1.31145697481E-10 1.54797807012E-10 1.80864518040E-10 2.09456418748E-10 2.40688377569E-10 2.74679698745E-10 3.11554283400E-10 3.51440796295E-10 3.94472838479E-10 4.40789126035E-10 4.90533675136E-10 5.43855993629E-10 6.00911279373E-10 6.61860625579E-10 7.26871233372E-10 7.96116631853E-10 8.69776905904E-10 9.48038932013E-10 1.03109662240E-09 1.11915117773E-09 1.21241134869E-09 1.31109370681E-09 1.41542292477E-09 1.52563206653E-09 1.64196288768E-09 1.76466614636E-09 1.89400192501E-09 2.03023996351E-09 2.17366000389E-09 2.32455214726E-09 2.48321722311E-09 2.64996717169E-09 2.82512543964E-09 3.00902738963E-09 3.20202072421E-09 3.40446592458E-09 3.61673670469E-09 3.83922048121E-09 4.07231885995E-09 4.31644813932E-09 4.57203983133E-09 4.83954120087E-09 5.11941582376E-09 5.41214416436E-09 5.71822417333E-09 6.03817190623E-09 6.37252216379E-09 6.72182915446E-09 7.08666718010E-09 7.46763134564E-09 7.86533829341E-09 8.28042696315E-09 8.71355937848E-09 9.16542146084E-09 9.63672387169E-09 1.01282028842E-08 1.06406212853E-08 1.11747693088E-08 1.17314656018E-08 1.23115582238E-08 1.29159256812E-08 1.35454779978E-08 1.42011578223E-08 1.48839415746E-08 1.55948406314E-08 1.63349025542E-08 1.71052123588E-08 1.79068938295E-08 1.87411108791E-08 1.96090689560E-08 2.05120165002E-08 2.14512464500E-08 2.24280978009E-08 2.34439572189E-08 2.45002607097E-08 2.55984953458E-08 2.67402010538E-08 2.79269724636E-08 2.91604608219E-08 3.04423759720E-08 3.17744884027E-08 3.31586313677E-08 3.45967030789E-08 3.60906689762E-08 3.76425640752E-08 3.92544953971E-08 4.09286444821E-08 4.26672699914E-08 4.44727103974E-08 4.63473867690E-08 4.82938056525E-08 5.03145620529E-08 5.24123425176E-08 5.45899283284E-08 5.68501988030E-08 5.91961347114E-08 6.16308218104E-08 6.41574545009E-08 6.67793396117E-08 6.94999003142E-08 7.23226801730E-08 7.52513473368E-08 7.82896988738E-08 8.14416652582E-08 8.47113150111E-08 8.81028595029E-08 9.16206579210E-08 9.52692224103E-08 9.90532233910E-08 1.02977495061E-07 1.07047041088E-07 1.11267040498E-07 1.15642853772E-07 1.20180029146E-07 1.24884309132E-07 1.29761637273E-07 1.34818165113E-07 1.40060259429E-07 1.45494509698E-07 1.51127735827E-07 1.56966996154E-07 1.63019595717E-07 1.69293094818E-07 1.75795317878E-07 1.82534362599E-07 1.89518609439E-07 1.96756731422E-07 2.04257704281E-07 2.12030816954E-07 2.20085682440E-07 2.28432249031E-07 2.37080811937E-07 2.46042025301E-07 2.55326914641E-07 2.64946889715E-07 2.74913757829E-07 2.85239737608E-07 2.95937473245E-07 3.07020049230E-07 3.18501005600E-07 3.30394353711E-07 3.42714592548E-07 3.55476725609E-07 3.68696278360E-07 3.82389316300E-07 3.96572463645E-07 4.11262922660E-07 4.26478493648E-07 4.42237595644E-07 4.58559287805E-07 4.75463291550E-07 4.92970013456E-07 5.11100568946E-07 5.29876806793E-07 5.49321334464E-07 5.69457544343E-07 5.90309640850E-07 6.11902668504E-07 6.34262540940E-07 6.57416070931E-07 6.81391001447E-07 7.06216037772E-07 7.31920880738E-07 7.58536261093E-07 7.86093975054E-07 8.14626921086E-07 8.44169137940E-07 8.74755844001E-07 9.06423477988E-07 9.39209741054E-07 9.73153640329E-07 1.00829553396E-06 1.04467717770E-06 1.08234177309E-06 1.12133401731E-06 1.16170015471E-06 1.20348803014E-06 1.24674714412E-06 1.29152870982E-06 1.33788571212E-06 1.38587296859E-06 1.43554719259E-06 1.48696705856E-06 1.54019326951E-06 1.59528862683E-06 1.65231810250E-06 1.71134891377E-06 1.77245060036E-06 1.83569510435E-06 1.90115685275E-06 1.96891284297E-06 2.03904273106E-06 2.11162892317E-06 2.18675666992E-06 2.26451416414E-06 2.34499264186E-06 2.42828648680E-06 2.51449333837E-06 2.60371420333E-06 2.69605357136E-06 2.79161953441E-06 2.89052391021E-06 2.99288236998E-06 3.09881457036E-06 3.20844428998E-06 3.32189957054E-06 3.43931286272E-06 3.56082117700E-06 3.68656623964E-06 3.81669465389E-06 3.95135806666E-06 4.09071334079E-06 4.23492273322E-06 4.38415407903E-06 4.53858098185E-06 4.69838301048E-06 4.86374590233E-06 5.03486177353E-06 5.21192933615E-06 5.39515412276E-06 5.58474871842E-06 5.78093300045E-06 5.98393438629E-06 6.19398808953E-06 6.41133738456E-06 6.63623387998E-06 6.86893780108E-06 7.10971828184E-06 7.35885366640E-06 7.61663182070E-06 7.88335045434E-06 8.15931745306E-06 8.44485122222E-06 8.74028104153E-06 9.04594743149E-06 9.36220253181E-06 9.68941049219E-06 1.00279478759E-05 1.03782040766E-05 1.07405817484E-05 1.11154972504E-05 1.15033811049E-05 1.19046784714E-05 1.23198496347E-05 1.27493705097E-05 1.31937331617E-05 1.36534463438E-05 1.41290360511E-05 1.46210460926E-05 1.51300386810E-05 1.56565950419E-05 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