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 -0.75156438901 4S 4 0 2.00 10.00000000000 2.00000000000 -0.44437349988 0 Version Number Zn Element US Ultrasoft pseudopotential F Nonlinear Core Correction SLA PW GGX GGC PW91 Exchange-Correlation functional 12.00000000000 Z valence -126.62583045449 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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-1.30092211347E-01 -9.78472733617E-02 -6.95272808773E-02 -4.59810620969E-02 -2.79177649365E-02 -1.58260754797E-02 -9.88061274934E-03 -9.83725172471E-03 -1.49208944164E-02 -2.37114632056E-02 -3.40368399044E-02 -4.28851268903E-02 -4.63529408915E-02 -3.96515142890E-02 -1.71977686531E-02 2.71769822633E-02 9.98634890820E-02 2.06916434169E-01 3.53263778895E-01 5.41654806952E-01 7.71339569460E-01 1.03651311691E+00 1.32462811188E+00 1.61479354095E+00 1.87665599816E+00 2.07043206050E+00 2.14916566798E+00 2.06488148073E+00 1.78114121275E+00 1.29597392915E+00 6.78641789010E-01 1.47906341213E-01 -8.64746761897E-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 1.00905693467E+00 1 2 1.91068630736E+00 2 2 -1.56619293349E+00 3 3 -1.02041385968E+00 3 4 3.05181403445E+00 4 4 -8.82059537103E-01 5 5 6.32082927794E+01 5 6 -7.14358706918E+01 6 6 8.04490778148E+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)) -5.58374376718E-01 Q_int 0.00000000000E+00 5.81339544921E-12 2.36527679468E-11 5.41349069734E-11 9.79013238557E-11 1.55619163224E-10 2.27982146908E-10 3.15711551398E-10 4.19557220064E-10 5.40298611322E-10 6.78745884039E-10 8.35741021446E-10 1.01215899493E-09 1.20890896907E-09 1.42693554943E-09 1.66722007448E-09 1.93078195330E-09 2.21868005062E-09 2.53201412086E-09 2.87192629284E-09 3.23960260701E-09 3.63627460692E-09 4.06322098697E-09 4.52176929824E-09 5.01329771456E-09 5.53923686083E-09 6.10107170585E-09 6.70034352175E-09 7.33865191259E-09 8.01765691426E-09 8.73908116840E-09 9.50471217273E-09 1.03164046106E-08 1.11760827626E-08 1.20857430024E-08 1.30474563810E-08 1.40633713014E-08 1.51357162872E-08 1.62668028484E-08 1.74590284478E-08 1.87148795716E-08 2.00369349075E-08 2.14278686342E-08 2.28904538266E-08 2.44275659800E-08 2.60421866575E-08 2.77374072659E-08 2.95164329633E-08 3.13825867034E-08 3.33393134216E-08 3.53901843674E-08 3.75389015889E-08 3.97893025727E-08 4.21453650480E-08 4.46112119568E-08 4.71911165989E-08 4.98895079563E-08 5.27109762035E-08 5.56602784105E-08 5.87423444445E-08 6.19622830778E-08 6.53253883093E-08 6.88371459056E-08 7.25032401713E-08 7.63295609548E-08 8.03222108984E-08 8.44875129418E-08 8.88320180861E-08 9.33625134293E-08 9.80860304816E-08 1.03009853770E-07 1.08141529742E-07 1.13488875984E-07 1.19059990750E-07 1.24863262836E-07 1.30907381788E-07 1.37201348466E-07 1.43754485983E-07 1.50576451017E-07 1.57677245515E-07 1.65067228816E-07 1.72757130183E-07 1.80758061774E-07 1.89081532068E-07 1.97739459757E-07 2.06744188112E-07 2.16108499862E-07 2.25845632580E-07 2.35969294606E-07 2.46493681527E-07 2.57433493221E-07 2.68803951502E-07 2.80620818375E-07 2.92900414917E-07 3.05659640826E-07 3.18915994642E-07 3.32687594668E-07 3.46993200620E-07 3.61852236029E-07 3.77284811416E-07 3.93311748280E-07 4.09954603905E-07 4.27235697037E-07 4.45178134450E-07 4.63805838433E-07 4.83143575224E-07 5.03216984443E-07 5.24052609529E-07 5.45677929246E-07 5.68121390275E-07 5.91412440933E-07 6.15581566067E-07 6.40660323151E-07 6.66681379638E-07 6.93678551602E-07 7.21686843725E-07 7.50742490662E-07 7.80882999841E-07 8.12147195751E-07 8.44575265752E-07 8.78208807483E-07 9.13090877906E-07 9.49266044047E-07 9.86780435498E-07 1.02568179873E-06 1.06601955329E-06 1.10784484995E-06 1.15121063085E-06 1.19617169174E-06 1.24278474639E-06 1.29110849314E-06 1.34120368392E-06 1.39313319548E-06 1.44696210319E-06 1.50275775737E-06 1.56058986227E-06 1.62053055772E-06 1.68265450371E-06 1.74703896780E-06 1.81376391559E-06 1.88291210434E-06 1.95456917979E-06 2.02882377636E-06 2.10576762077E-06 2.18549563929E-06 2.26810606867E-06 2.35370057093E-06 2.44238435205E-06 2.53426628488E-06 2.62945903619E-06 2.72807919813E-06 2.83024742432E-06 2.93608857051E-06 3.04573184020E-06 3.15931093526E-06 3.27696421175E-06 3.39883484111E-06 3.52507097693E-06 3.65582592753E-06 3.79125833442E-06 3.93153235694E-06 4.07681786337E-06 4.22729062849E-06 4.38313253809E-06 4.54453180047E-06 4.71168316528E-06 4.88478814991E-06 5.06405527367E-06 5.24970030008E-06 5.44194648754E-06 5.64102484861E-06 5.84717441830E-06 6.06064253154E-06 6.28168511029E-06 6.51056696059E-06 6.74756207973E-06 6.99295397417E-06 7.24703598836E-06 7.51011164489E-06 7.78249499642E-06 8.06451098972E-06 8.35649584230E-06 8.65879743201E-06 8.97177570008E-06 9.29580306810E-06 9.63126486930E-06 9.97855979482E-06 1.03381003553E-05 1.07103133583E-05 1.10956404024E-05 1.14945383883E-05 1.19074800472E-05 1.23349544878E-05 1.27774677622E-05 1.32355434509E-05 1.37097232680E-05 1.42005676881E-05 1.47086565935E-05 1.52345899447E-05 1.57789884736E-05 1.63424944006E-05 1.69257721767E-05 1.75295092505E-05 1.81544168625E-05 1.88012308659E-05 1.94707125765E-05 2.01636496512E-05 2.08808569969E-05 2.16231777113E-05 2.23914840550E-05 2.31866784579E-05 2.40096945602E-05 2.48614982886E-05 2.57430889707E-05 2.66555004861E-05 2.75998024587E-05 2.85771014892E-05 2.95885424300E-05 3.06353097042E-05 3.17186286699E-05 3.28397670314E-05 3.40000362988E-05 3.52007932978E-05 3.64434417317E-05 3.77294337968E-05 3.90602718531E-05 4.04375101531E-05 4.18627566290E-05 4.33376747424E-05 4.48639853966E-05 4.64434689149E-05 4.80779670870E-05 4.97693852854E-05 5.15196946542E-05 5.33309343736E-05 5.52052140016E-05 5.71447158963E-05 5.91516977206E-05 6.12284950337E-05 6.33775239710E-05 6.56012840153E-05 6.79023608638E-05 7.02834293928E-05 7.27472567235E-05 7.52967053941E-05 7.79347366384E-05 8.06644137786E-05 8.34889057327E-05 8.64114906420E-05 8.94355596236E-05 9.25646206496E-05 9.58023025599E-05 9.91523592110E-05 1.02618673768E-04 1.06205263140E-04 1.09916282572E-04 1.13756030385E-04 1.17728952888E-04 1.21839649448E-04 1.26092877737E-04 1.30493559158E-04 1.35046784455E-04 1.39757819510E-04 1.44632111342E-04 1.49675294308E-04 1.54893196514E-04 1.60291846441E-04 1.65877479802E-04 1.71656546623E-04 1.77635718571E-04 1.83821896526E-04 1.90222218408E-04 1.96844067273E-04 2.03695079675E-04 2.10783154319E-04 2.18116460998E-04 2.25703449834E-04 2.33552860832E-04 2.41673733748E-04 2.50075418296E-04 2.58767584697E-04 2.67760234574E-04 2.77063712218E-04 2.86688716233E-04 2.96646311562E-04 3.06947941920E-04 3.17605442642E-04 3.28631053956E-04 3.40037434694E-04 3.51837676467E-04 3.64045318304E-04 3.76674361775E-04 3.89739286615E-04 4.03255066866E-04 4.17237187548E-04 4.31701661879E-04 4.46665049060E-04 4.62144472647E-04 4.78157639515E-04 4.94722859452E-04 5.11859065384E-04 5.29585834259E-04 5.47923408610E-04 5.66892718820E-04 5.86515406092E-04 6.06813846179E-04 6.27811173857E-04 6.49531308197E-04 6.71998978635E-04 6.95239751880E-04 7.19280059669E-04 7.44147227407E-04 7.69869503709E-04 7.96476090870E-04 8.23997176292E-04 8.52463964890E-04 8.81908712509E-04 9.12364760371E-04 9.43866570591E-04 9.76449762777E-04 1.01015115175E-03 1.04500878644E-03 1.08106198986E-03 1.11835140046E-03 1.15691901451E-03 1.19680822994E-03 1.23806389130E-03 1.28073233620E-03 1.32486144298E-03 1.37050067984E-03 1.41770115534E-03 1.46651567038E-03 1.51699877160E-03 1.56920680632E-03 1.62319797902E-03 1.67903240929E-03 1.73677219147E-03 1.79648145584E-03 1.85822643140E-03 1.92207551041E-03 1.98809931452E-03 2.05637076261E-03 2.12696514036E-03 2.19996017156E-03 2.27543609113E-03 2.35347571990E-03 2.43416454119E-03 2.51759077912E-03 2.60384547868E-03 2.69302258759E-03 2.78521903994E-03 2.88053484149E-03 2.97907315678E-03 3.08094039792E-03 3.18624631503E-03 3.29510408835E-03 3.40763042194E-03 3.52394563886E-03 3.64417377795E-03 3.76844269186E-03 3.89688414656E-03 4.02963392197E-03 4.16683191374E-03 4.30862223610E-03 4.45515332547E-03 4.60657804488E-03 4.76305378891E-03 4.92474258899E-03 5.09181121887E-03 5.26443130004E-03 5.44277940684E-03 5.62703717091E-03 5.81739138489E-03 6.01403410476E-03 6.21716275072E-03 6.42698020598E-03 6.64369491332E-03 6.86752096862E-03 7.09867821112E-03 7.33739230975E-03 7.58389484494E-03 7.83842338529E-03 8.10122155838E-03 8.37253911496E-03 8.65263198578E-03 8.94176233009E-03 9.24019857489E-03 9.54821544396E-03 9.86609397553E-03 1.01941215274E-02 1.05325917683E-02 1.08818046542E-02 1.12420663875E-02 1.16136893591E-02 1.19969920693E-02 1.23922990284E-02 1.27999406324E-02 1.32202530144E-02 1.36535778672E-02 1.41002622365E-02 1.45606582806E-02 1.50351229962E-02 1.55240179043E-02 1.60277086968E-02 1.65465648371E-02 1.70809591142E-02 1.76312671447E-02 1.81978668196E-02 1.87811376922E-02 1.93814603019E-02 1.99992154295E-02 2.06347832799E-02 2.12885425865E-02 2.19608696307E-02 2.26521371738E-02 2.33627132911E-02 2.40929601057E-02 2.48432324125E-02 2.56138761866E-02 2.64052269681E-02 2.72176081156E-02 2.80513289200E-02 2.89066825702E-02 2.97839439608E-02 3.06833673328E-02 3.16051837381E-02 3.25495983154E-02 3.35167873677E-02 3.45068952310E-02 3.55200309198E-02 3.65562645395E-02 3.76156234515E-02 3.86980881779E-02 3.98035880319E-02 4.09319964604E-02 4.20831260823E-02 4.32567234094E-02 4.44524632318E-02 4.56699426537E-02 4.69086747619E-02 4.81680819097E-02 4.94474885993E-02 5.07461139452E-02 5.20630636996E-02 5.33973218216E-02 5.47477415719E-02 5.61130361140E-02 5.74917686019E-02 5.88823417368E-02 6.02829867719E-02 6.16917519472E-02 6.31064903350E-02 6.45248470765E-02 6.59442459922E-02 6.73618755475E-02 6.87746741546E-02 7.01793147965E-02 7.15721889541E-02 7.29493898233E-02 7.43066948081E-02 7.56395472759E-02 7.69430375666E-02 7.82118832453E-02 7.94404085932E-02 8.06225233339E-02 8.17517005949E-02 8.28209541089E-02 8.38228146647E-02 8.47493058219E-02 8.55919189122E-02 8.63415873564E-02 8.69886603384E-02 8.75228758851E-02 8.79333334195E-02 8.82084658667E-02 8.83360114140E-02 8.83029850487E-02 8.80956500242E-02 8.76994894373E-02 8.70991781378E-02 8.62785552371E-02 8.52205975316E-02 8.39073942233E-02 8.23201233868E-02 8.04390307167E-02 7.82434111859E-02 7.57115943531E-02 7.28209341853E-02 6.95478044015E-02 6.58676005045E-02 6.17547498494E-02 5.71827312893E-02 5.21241061624E-02 4.65505626154E-02 4.04329755069E-02 3.37414844003E-02 2.64455924163E-02 1.85142889838E-02 9.91619977441E-03 6.19767327060E-04 -9.40653395964E-03 -2.01939446919E-02 -3.17731254323E-02 -4.41738161149E-02 -5.74244466339E-02 -7.15516958825E-02 -8.65799973848E-02 -1.02530990895E-01 -1.19422920993E-01 -1.37269985896E-01 -1.56081642442E-01 -1.75861876630E-01 -1.96608453202E-01 -2.18312162590E-01 -2.40956089071E-01 -2.64514930111E-01 -2.88954403402E-01 -3.14230784717E-01 -3.40290625880E-01 -3.67070707172E-01 -3.94498281282E-01 -4.22491665187E-01 -4.50961230191E-01 -4.79810826647E-01 -5.08939655880E-01 -5.38244564433E-01 -5.67622681653E-01 -5.96974247649E-01 -6.26205382332E-01 -6.55230427030E-01 -6.83973351210E-01 -7.12367567617E-01 -7.40353359944E-01 -7.67872035335E-01 -7.94855933810E-01 -8.21213662784E-01 -8.46810543201E-01 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