Generated using Vanderbilt code, version 7 3 4 Author: unknown Generation date: 4 3 5 Automatically converted from original format 1 The Pseudo was generated with a Scalar-Relativistic Calculation 2.00000000000E+00 Local Potential cutoff radius nl pn l occ Rcut Rcut US E pseu 3D 3 2 10.00 10.00000000000 2.00000000000 -0.73779444196 4S 4 0 2.00 10.00000000000 2.00000000000 -0.43731104360 0 Version Number Zn Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA LYP B88 BLYP BLYP Exchange-Correlation functional 12.00000000000 Z valence -126.46183656039 Total energy 0.0000000 0.0000000 Suggested cutoff for wfc and rho 2 Max angular momentum component 869 Number of points in mesh 2 6 Number of Wavefunctions, Number of Projectors Wavefunctions nl l occ 3D 2 10.00 4S 0 2.00 0.00000000000E+00 1.41236030267E-06 2.84886293360E-06 4.30992057220E-06 5.79595295206E-06 7.30738698153E-06 8.84465686636E-06 1.04082042344E-05 1.19984782627E-05 1.36159358060E-05 1.52610415287E-05 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-7.49630944835E-03 -7.94545726562E-03 -8.42270811784E-03 -8.92988495673E-03 -9.46893086793E-03 -1.00419161805E-02 -1.06510470218E-02 -1.12986736085E-02 -1.19872991661E-02 -1.27195895088E-02 -1.34983828947E-02 -1.43267002764E-02 -1.52077565818E-02 -1.61449712463E-02 -1.71419816398E-02 -1.82026530463E-02 -1.93310944049E-02 -2.05316683673E-02 -2.18090082788E-02 -2.31680289258E-02 -2.46139443061E-02 -2.61522788796E-02 -2.77888859749E-02 -2.95299593386E-02 -3.13820516682E-02 -3.33520860757E-02 -3.54473742851E-02 -3.76756276120E-02 -4.00449738705E-02 -4.25639670205E-02 -4.52416024499E-02 -4.80873235871E-02 -5.11110345531E-02 -5.43231029988E-02 -5.77343668397E-02 -6.13561346819E-02 -6.52001813673E-02 -6.92787448065E-02 -7.36045102276E-02 -7.81905969400E-02 -8.30505308517E-02 -8.81982171606E-02 -9.36478968371E-02 -9.94141019518E-02 -1.05511591575E-01 -1.11955284762E-01 -1.18760170657E-01 -1.25941213498E-01 -1.33513231410E-01 -1.41490766629E-01 -1.49887926200E-01 -1.58718210430E-01 -1.67994308841E-01 -1.77727877213E-01 -1.87929284678E-01 -1.98607328150E-01 -2.09768923424E-01 -2.21418753097E-01 -2.33558890683E-01 -2.46188378307E-01 -2.59302778467E-01 -2.72893678333E-01 -2.86948167585E-01 -3.01448269713E-01 -3.16370350705E-01 -3.31684484767E-01 -3.47353805135E-01 -3.63333822572E-01 -3.79571741592E-01 -3.96005762215E-01 -4.12564401442E-01 -4.29165826911E-01 -4.45717242962E-01 -4.62114331708E-01 -4.78240784433E-01 -4.93967954375E-01 -5.09154651962E-01 -5.23647140124E-01 -5.37279349629E-01 -5.49873386425E-01 -5.61240358126E-01 -5.71181601326E-01 -5.79490342458E-01 -5.85953882630E-01 -5.90356338692E-01 -5.92482032504E-01 -5.92119554743E-01 -5.89066581686E-01 -5.83135453168E-01 -5.74159557495E-01 -5.62000490616E-01 -5.46555975365E-01 -5.27768434689E-01 -5.05634104151E-01 -4.80212467800E-01 -4.51635737971E-01 -4.20118014560E-01 -3.85963616086E-01 -3.49573999927E-01 -3.11452495925E-01 -2.72205986501E-01 -2.32542458757E-01 -1.93263259449E-01 -1.55248697567E-01 -1.19435592767E-01 -8.67852694757E-02 -5.82405936027E-02 -3.46707607024E-02 -1.68029402898E-02 -5.14040176997E-03 1.32320219568E-04 -7.44550059052E-04 -6.99237334798E-03 -1.71786355011E-02 -2.91084889163E-02 -3.97357782486E-02 -4.51104034082E-02 -4.03839735551E-02 -1.99011320333E-02 2.25905362862E-02 9.35745232903E-02 1.99203298131E-01 3.44501880382E-01 5.32308086559E-01 7.61942080061E-01 1.02763877098E+00 1.31684723198E+00 1.60861603179E+00 1.87246305876E+00 2.06840178542E+00 2.14920311796E+00 2.06657161016E+00 1.78375388628E+00 1.29856749169E+00 6.80314747645E-01 1.48443860161E-01 -8.66663287080E-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 9 Number of nonzero Dij 1 1 9.83921531609E-01 1 2 1.94646683412E+00 2 2 -1.61186756490E+00 3 3 -1.00962508804E+00 3 4 3.02819185132E+00 4 4 -8.81248479827E-01 5 5 6.30473351512E+01 5 6 -7.13531766988E+01 6 6 8.04662155320E+01 8 nqf. If not zero, Qij's inside rinner are computed using qfcoef's 1 8.00000000000E-01 2 8.00000000000E-01 3 8.00000000000E-01 4 8.00000000000E-01 5 8.00000000000E-01 1 1 0 i j (l(j)) -5.61109004471E-01 Q_int 0.00000000000E+00 5.69212436879E-12 2.31593563513E-11 5.30056188122E-11 9.58590407489E-11 1.52372849736E-10 2.23226296129E-10 3.09125610138E-10 4.10804992928E-10 5.29027642926E-10 6.64586818572E-10 8.18306938799E-10 9.91044722539E-10 1.18369036863E-09 1.39716877757E-09 1.63244081649E-09 1.89050462895E-09 2.17239699110E-09 2.47919471579E-09 2.81201610633E-09 3.17202246159E-09 3.56041963437E-09 3.97845964468E-09 4.42744235007E-09 4.90871717478E-09 5.42368489998E-09 5.97379951708E-09 6.56057014631E-09 7.18556302297E-09 7.85040355356E-09 8.55677844432E-09 9.30643790466E-09 1.01011979281E-08 1.09429426533E-08 1.18336268086E-08 1.27752782415E-08 1.37700005379E-08 1.48199757329E-08 1.59274671171E-08 1.70948221407E-08 1.83244754201E-08 1.96189518500E-08 2.09808698240E-08 2.24129445690E-08 2.39179915955E-08 2.54989302695E-08 2.71587875089E-08 2.89007016103E-08 3.07279262083E-08 3.26438343749E-08 3.46519228611E-08 3.67558164876E-08 3.89592726890E-08 4.12661862163E-08 4.36805940043E-08 4.62066802090E-08 4.88487814211E-08 5.16113920611E-08 5.44991699635E-08 5.75169421550E-08 6.06697108361E-08 6.39626595690E-08 6.74011596841E-08 7.09907769074E-08 7.47372782214E-08 7.86466389634E-08 8.27250501723E-08 8.69789261912E-08 9.14149125347E-08 9.60398940312E-08 1.00861003248E-07 1.05885629208E-07 1.11121426418E-07 1.16576324198E-07 1.22258536347E-07 1.28176571141E-07 1.34339241678E-07 1.40755676583E-07 1.47435331089E-07 1.54387998498E-07 1.61623822045E-07 1.69153307172E-07 1.76987334232E-07 1.85137171629E-07 1.93614489422E-07 2.02431373394E-07 2.11600339617E-07 2.21134349520E-07 2.31046825478E-07 2.41351666946E-07 2.52063267155E-07 2.63196530381E-07 2.74766889822E-07 2.86790326086E-07 2.99283386332E-07 3.12263204069E-07 3.25747519637E-07 3.39754701414E-07 3.54303767740E-07 3.69414409618E-07 3.85107014195E-07 4.01402689054E-07 4.18323287357E-07 4.35891433854E-07 4.54130551795E-07 4.73064890781E-07 4.92719555565E-07 5.13120535874E-07 5.34294737245E-07 5.56270012937E-07 5.79075196954E-07 6.02740138207E-07 6.27295735856E-07 6.52773975885E-07 6.79207968940E-07 7.06631989478E-07 7.35081516269E-07 7.64593274308E-07 7.95205278173E-07 8.26956876883E-07 8.59888800318E-07 8.94043207235E-07 9.29463734956E-07 9.66195550769E-07 1.00428540512E-06 1.04378168661E-06 1.08473447897E-06 1.12719561992E-06 1.17121876213E-06 1.21685943625E-06 1.26417511615E-06 1.31322528639E-06 1.36407151206E-06 1.41677751102E-06 1.47140922858E-06 1.52803491488E-06 1.58672520487E-06 1.64755320105E-06 1.71059455909E-06 1.77592757645E-06 1.84363328397E-06 1.91379554075E-06 1.98650113218E-06 2.06183987149E-06 2.13990470466E-06 2.22079181913E-06 2.30460075613E-06 2.39143452693E-06 2.48139973317E-06 2.57460669124E-06 2.67116956107E-06 2.77120647927E-06 2.87483969697E-06 2.98219572231E-06 3.09340546798E-06 3.20860440374E-06 3.32793271428E-06 3.45153546253E-06 3.57956275858E-06 3.71216993444E-06 3.84951772488E-06 3.99177245445E-06 4.13910623102E-06 4.29169714597E-06 4.44972948129E-06 4.61339392383E-06 4.78288778701E-06 4.95841524007E-06 5.14018754536E-06 5.32842330371E-06 5.52334870835E-06 5.72519780759E-06 5.93421277650E-06 6.15064419803E-06 6.37475135382E-06 6.60680252506E-06 6.84707530369E-06 7.09585691438E-06 7.35344454757E-06 7.62014570411E-06 7.89627855165E-06 8.18217229343E-06 8.47816754974E-06 8.78461675256E-06 9.10188455384E-06 9.43034824778E-06 9.77039820776E-06 1.01224383383E-05 1.04868865427E-05 1.08641752064E-05 1.12547516979E-05 1.16590788857E-05 1.20776356744E-05 1.25109175580E-05 1.29594371934E-05 1.34237249929E-05 1.39043297375E-05 1.44018192112E-05 1.49167808571E-05 1.54498224562E-05 1.60015728299E-05 1.65726825658E-05 1.71638247697E-05 1.77756958425E-05 1.84090162843E-05 1.90645315266E-05 1.97430127918E-05 2.04452579843E-05 2.11720926103E-05 2.19243707307E-05 2.27029759462E-05 2.35088224159E-05 2.43428559122E-05 2.52060549107E-05 2.60994317183E-05 2.70240336400E-05 2.79809441858E-05 2.89712843191E-05 2.99962137480E-05 3.10569322610E-05 3.21546811092E-05 3.32907444348E-05 3.44664507498E-05 3.56831744654E-05 3.69423374730E-05 3.82454107811E-05 3.95939162068E-05 4.09894281267E-05 4.24335752871E-05 4.39280426770E-05 4.54745734646E-05 4.70749710012E-05 4.87311008932E-05 5.04448931453E-05 5.22183443776E-05 5.40535201184E-05 5.59525571756E-05 5.79176660896E-05 5.99511336699E-05 6.20553256196E-05 6.42326892482E-05 6.64857562790E-05 6.88171457513E-05 7.12295670229E-05 7.37258228748E-05 7.63088127221E-05 7.89815359351E-05 8.17470952739E-05 8.46087004400E-05 8.75696717494E-05 9.06334439316E-05 9.38035700578E-05 9.70837256033E-05 1.00477712649E-04 1.03989464225E-04 1.07623048803E-04 1.11382674944E-04 1.15272696100E-04 1.19297615581E-04 1.23462091693E-04 1.27770943048E-04 1.32229154058E-04 1.36841880611E-04 1.41614455940E-04 1.46552396701E-04 1.51661409243E-04 1.56947396098E-04 1.62416462692E-04 1.68074924283E-04 1.73929313128E-04 1.79986385898E-04 1.86253131344E-04 1.92736778218E-04 1.99444803466E-04 2.06384940689E-04 2.13565188901E-04 2.20993821574E-04 2.28679395983E-04 2.36630762879E-04 2.44857076473E-04 2.53367804762E-04 2.62172740199E-04 2.71282010720E-04 2.80706091141E-04 2.90455814933E-04 3.00542386392E-04 3.10977393217E-04 3.21772819496E-04 3.32941059140E-04 3.44494929746E-04 3.56447686932E-04 3.68813039140E-04 3.81605162928E-04 3.94838718773E-04 4.08528867383E-04 4.22691286557E-04 4.37342188591E-04 4.52498338259E-04 4.68177071377E-04 4.84396313975E-04 5.01174602098E-04 5.18531102243E-04 5.36485632462E-04 5.55058684149E-04 5.74271444531E-04 5.94145819878E-04 6.14704459461E-04 6.35970780282E-04 6.57968992586E-04 6.80724126189E-04 7.04262057643E-04 7.28609538258E-04 7.53794223009E-04 7.79844700351E-04 8.06790522970E-04 8.34662239486E-04 8.63491427154E-04 8.93310725563E-04 9.24153871381E-04 9.56055734169E-04 9.89052353275E-04 1.02318097587E-03 1.05848009611E-03 1.09498949548E-03 1.13275028439E-03 1.17180494492E-03 1.21219737490E-03 1.25397293324E-03 1.29717848664E-03 1.34186245756E-03 1.38807487365E-03 1.43586741856E-03 1.48529348416E-03 1.53640822424E-03 1.58926860975E-03 1.64393348544E-03 1.70046362819E-03 1.75892180675E-03 1.81937284321E-03 1.88188367597E-03 1.94652342443E-03 2.01336345526E-03 2.08247745042E-03 2.15394147673E-03 2.22783405733E-03 2.30423624463E-03 2.38323169515E-03 2.46490674600E-03 2.54935049303E-03 2.63665487084E-03 2.72691473430E-03 2.82022794194E-03 2.91669544090E-03 3.01642135358E-03 3.11951306587E-03 3.22608131704E-03 3.33624029104E-03 3.45010770940E-03 3.56780492552E-03 3.68945702022E-03 3.81519289872E-03 3.94514538862E-03 4.07945133910E-03 4.21825172094E-03 4.36169172741E-03 4.50992087586E-03 4.66309310974E-03 4.82136690093E-03 4.98490535226E-03 5.15387629983E-03 5.32845241496E-03 5.50881130559E-03 5.69513561666E-03 5.88761312925E-03 6.08643685811E-03 6.29180514718E-03 6.50392176264E-03 6.72299598317E-03 6.94924268665E-03 7.18288243307E-03 7.42414154285E-03 7.67325216998E-03 7.93045236934E-03 8.19598615739E-03 8.47010356546E-03 8.75306068477E-03 9.04511970225E-03 9.34654892612E-03 9.65762280018E-03 9.97862190563E-03 1.03098329492E-02 1.06515487360E-02 1.10040681265E-02 1.13676959745E-02 1.17427430461E-02 1.21295259172E-02 1.25283668471E-02 1.29395936273E-02 1.33635394021E-02 1.38005424600E-02 1.42509459925E-02 1.47150978173E-02 1.51933500651E-02 1.56860588239E-02 1.61935837411E-02 1.67162875767E-02 1.72545357072E-02 1.78086955730E-02 1.83791360688E-02 1.89662268693E-02 1.95703376890E-02 2.01918374678E-02 2.08310934807E-02 2.14884703631E-02 2.21643290491E-02 2.28590256136E-02 2.35729100145E-02 2.43063247267E-02 2.50596032618E-02 2.58330685653E-02 2.66270312839E-02 2.74417878949E-02 2.82776186889E-02 2.91347855962E-02 3.00135298487E-02 3.09140694661E-02 3.18365965572E-02 3.27812744245E-02 3.37482344613E-02 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