abinit-data 7.8.2-2 / usr / share / abinit / psp / Li.LDA-PW-paw.abinit

Paw atomic data for element Li - Generated by atompaw v3.0.1.9 & AtomPAW2Abinit v3.3.1
   3.000   3.000 20130717               : zatom,zion,pspdat
  7       7  1 0  1277 0.               : pspcod,pspxc,lmax,lloc,mmax,r2well
 paw5 1331                              : pspfmt,creatorID
  4  8                                  : basis_size,lmn_size
 0 0 1 1                                : orbitals
 4                                      : number_of_meshes
 1 2 1277 1.7850588107887920E-03 5.3551764323663759E-03 : mesh 1, type,size,rad_step[,log_step]
 2 2 1272 1.7850588107887920E-03 5.3551764323663759E-03 : mesh 2, type,size,rad_step[,log_step]
 3 2 1612 1.7850588107887920E-03 5.3551764323663759E-03 : mesh 3, type,size,rad_step[,log_step]
 4 2 1754 1.7850588107887920E-03 5.3551764323663759E-03 : mesh 4, type,size,rad_step[,log_step]
  1.6112625727                          : r_cut(PAW)
 2 0.                                   : shape_type,rshape
===== PHI 1 =====   [phi(r)=PHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
  0.0000000000000000E+00  8.7759741485409610E-05  1.7598562707398099E-04
  2.6468010294785537E-04  3.5384563008678498E-04  4.4348468209499270E-04
  5.3359974526266164E-04  6.2419331862769399E-04  7.1526791403773483E-04
  8.0682605621246108E-04  8.9887028280613861E-04  9.9140314447044111E-04
  1.0844272049175428E-03  1.1779450409834715E-03  1.2719592426917354E-03
  1.3664724133172160E-03  1.4614871694503327E-03  1.5570061410614771E-03
  1.6530319715657180E-03  1.7495673178877789E-03  1.8466148505272856E-03
  1.9441772536242937E-03  2.0422572250250784E-03  2.1408574763482104E-03
  2.2399807330508994E-03  2.3396297344956156E-03  2.4398072340169898E-03
  2.5405159989889846E-03  2.6417588108923495E-03  2.7435384653823496E-03
  2.8458577723567773E-03  2.9487195560242382E-03  3.0521266549727211E-03
  3.1560819222384495E-03  3.2605882253750073E-03  3.3656484465227569E-03
  3.4712654824785288E-03  3.5774422447656007E-03  3.6841816597039580E-03
  3.7914866684808412E-03  3.8993602272215729E-03  4.0078053070606743E-03
  4.1168248942132675E-03  4.2264219900467531E-03  4.3365996111527942E-03
  4.4473607894195714E-03  4.5587085721043299E-03  4.6706460219062221E-03
  4.7831762170394213E-03  4.8963022513065536E-03  5.0100272341723814E-03
  5.1243542908378081E-03  5.2392865623141676E-03  5.3548272054977841E-03
  5.4709793932448542E-03  5.5877463144466009E-03  5.7051311741047224E-03
  5.8231371934071366E-03  5.9417676098040169E-03  6.0610256770841208E-03
  6.1809146654514249E-03  6.3014378616020250E-03  6.4225985688013661E-03
  6.5444001069617421E-03  6.6668458127200911E-03  6.7899390395161153E-03
  6.9136831576706512E-03  7.0380815544643779E-03  7.1631376342167919E-03
  7.2888548183654952E-03  7.4152365455457765E-03  7.5422862716704930E-03
  7.6700074700102394E-03  7.7984036312738238E-03  7.9274782636890376E-03
  8.0572348930837250E-03  8.1876770629671532E-03  8.3188083346116687E-03
  8.4506322871346733E-03  8.5831525175808863E-03  8.7163726410049019E-03
  8.8502962905540484E-03  8.9849271175515555E-03  9.1202687915800072E-03
  9.2563250005651080E-03  9.3930994508597300E-03  9.5305958673282953E-03
  9.6688179934314011E-03  9.8077695913107929E-03  9.9474544418746286E-03
  1.0087876344883021E-02  1.0229039119033894E-02  1.0370946602049144E-02
  1.0513602650761086E-02  1.0657011141199215E-02  1.0801175968677249E-02
  1.0946101047880489E-02  1.1091790312953455E-02  1.1238247717587857E-02
  1.1385477235110814E-02  1.1533482858573415E-02  1.1682268600839570E-02
  1.1831838494675125E-02  1.1982196592837327E-02  1.2133346968164547E-02
  1.2285293713666311E-02  1.2438040942613641E-02  1.2591592788629667E-02
  1.2745953405780561E-02  1.2901126968666743E-02  1.3057117672514397E-02
  1.3213929733267285E-02  1.3371567387678840E-02  1.3530034893404564E-02
  1.3689336529094723E-02  1.3849476594487316E-02  1.4010459410501353E-02
  1.4172289319330431E-02  1.4334970684536577E-02  1.4498507891144383E-02
  1.4662905345735486E-02  1.4828167476543256E-02  1.4994298733547816E-02
  1.5161303588571354E-02  1.5329186535373717E-02  1.5497952089748260E-02
  1.5667604789618029E-02  1.5838149195132194E-02  1.6009589888762797E-02
  1.6181931475401756E-02  1.6355178582458132E-02  1.6529335859955738E-02
  1.6704407980630977E-02  1.6880399640030994E-02  1.7057315556612055E-02
  1.7235160471838262E-02  1.7413939150280503E-02  1.7593656379715703E-02
  1.7774316971226316E-02  1.7955925759300148E-02  1.8138487601930372E-02
  1.8322007380715859E-02  1.8506490000961821E-02  1.8691940391780584E-02
  1.8878363506192812E-02  1.9065764321228817E-02  1.9254147838030269E-02
  1.9443519081952083E-02  1.9633883102664597E-02  1.9825244974256011E-02
  2.0017609795335078E-02  2.0210982689134068E-02  2.0405368803611931E-02
  2.0600773311557772E-02  2.0797201410694546E-02  2.0994658323783021E-02
  2.1193149298725962E-02  2.1392679608672579E-02  2.1593254552123211E-02
  2.1794879453034238E-02  2.1997559660923250E-02  2.2201300550974485E-02
  2.2406107524144393E-02  2.2611986007267569E-02  2.2818941453162815E-02
  2.3026979340739485E-02  2.3236105175104008E-02  2.3446324487666717E-02
  2.3657642836248799E-02  2.3870065805189543E-02  2.4083599005453735E-02
  2.4298248074739348E-02  2.4514018677585386E-02  2.4730916505479934E-02
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  2.6281247396525622E-02  2.6507371188094198E-02  2.6734674658744503E-02
  2.6963163775443257E-02  2.7192844533308103E-02  2.7423722955717787E-02
  2.7655805094422808E-02  2.7889097029656064E-02  2.8123604870243700E-02
  2.8359334753716114E-02  2.8596292846419159E-02  2.8834485343625458E-02
  2.9073918469645847E-02  2.9314598477941038E-02  2.9556531651233356E-02
  2.9799724301618601E-02  3.0044182770678170E-02  3.0289913429591132E-02
  3.0536922679246566E-02  3.0785216950355968E-02  3.1034802703565748E-02
  3.1285686429569914E-02  3.1537874649222780E-02  3.1791373913651860E-02
  3.2046190804370794E-02  3.2302331933392409E-02  3.2559803943341868E-02
  3.2818613507569913E-02  3.3078767330266122E-02  3.3340272146572356E-02
  3.3603134722696160E-02  3.3867361856024375E-02  3.4132960375236623E-02
  3.4399937140419029E-02  3.4668299043177885E-02  3.4938053006753386E-02
  3.5209205986133439E-02  3.5481764968167434E-02  3.5755736971680128E-02
  3.6031129047585528E-02  3.6307948279000746E-02  3.6586201781359920E-02
  3.6865896702528121E-02  3.7147040222915269E-02  3.7429639555590012E-02
  3.7713701946393632E-02  3.7999234674053937E-02  3.8286245050299088E-02
  3.8574740419971429E-02  3.8864728161141233E-02  3.9156215685220527E-02
  3.9449210437076658E-02  3.9743719895146024E-02  4.0039751571547585E-02
  4.0337313012196410E-02  4.0636411796916974E-02  4.0937055539556649E-02
  4.1239251888098814E-02  4.1543008524776055E-02  4.1848333166183138E-02
  4.2155233563389953E-02  4.2463717502054334E-02  4.2773792802534613E-02
  4.3085467320002284E-02  4.3398748944554220E-02  4.3713645601324992E-02
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  5.0014338681721796E-02  5.0363255204609492E-02  5.0713961477850629E-02
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  5.3219755955411924E-02  5.3585097460691233E-02  5.3952308592460189E-02
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  5.5440031276203804E-02  5.5816727297108397E-02  5.6195347918029763E-02
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  6.0089472149305941E-02  6.0489885696906519E-02  6.0892338023785554E-02
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===== PHI 2 =====   [phi(r)=PHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
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  3.2315851803204798E-01  3.2577636681104116E-01
===== PHI 3 =====   [phi(r)=PHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
  0.0000000000000000E+00  4.3937870130853262E-11  1.7665306706984361E-10
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  2.6553346717040316E-01  2.6684686057359203E-01  2.6816244133047190E-01
  2.6948016025269700E-01  2.7079996684808444E-01
===== PHI 4 =====   [phi(r)=PHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
  0.0000000000000000E+00  4.2017419510868712E-10  1.6893185774414435E-09
  3.8212835569825361E-09  6.8298492245284005E-09  1.0728994582794049E-08
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  6.4170981911648018E-08  7.5719527526912896E-08  8.8292599452196794E-08
  1.0190601819875314E-07  1.1657579962184677E-07  1.3231815714517731E-07
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  2.0634465827331918E-07  2.2770017140561538E-07  2.5022981783918218E-07
  2.7395125837069555E-07  2.9888237007093986E-07  3.2504124874015934E-07
  3.5244621139032822E-07  3.8111579875462209E-07  4.1106877782438037E-07
  4.4232414441385289E-07  4.7490112575302547E-07  5.0881918310882428E-07
  5.4409801443500479E-07  5.8075755705102675E-07  6.1881799035023271E-07
  6.5829973853763586E-07  6.9922347339763902E-07  7.4161011709200396E-07
  7.8548084498839280E-07  8.3085708851981262E-07  8.7776053807529020E-07
  9.2621314592211147E-07  9.7623712915996638E-07  1.0278549727073355E-06
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  9.6103759918800935E-01  9.5072953664680449E-01
===== TPHI 1 =====   [tphi(r)=TPHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
  0.0000000000000000E+00  1.3625349081723184E-05  2.7323860027523765E-05
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===== TPHI 2 =====   [tphi(r)=TPHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
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===== TPHI 3 =====   [tphi(r)=TPHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
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  2.6160688399420079E-01  2.6291343282618568E-01  2.6422230903316901E-01
  2.6553346717040316E-01  2.6684686057359203E-01  2.6816244133047190E-01
  2.6948016025269700E-01  2.7079996684808444E-01
===== TPHI 4 =====   [tphi(r)=TPHI(r)/r*Ylm(th,ph)]
 1  : radial mesh index
  0.0000000000000000E+00  1.9866428988155916E-10  7.9892983148156931E-10
  1.8072659599837313E-09  3.2302231887902061E-09  5.0744341454715103E-09
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===== TPROJECTOR 1 =====   [tp(r)=TPROJECTOR(r)/r*Ylm(th,ph)]
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===== TPROJECTOR 3 =====   [tp(r)=TPROJECTOR(r)/r*Ylm(th,ph)]
 2  : radial mesh index
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===== Dij0 =====
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===== Rhoij0 =====
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===== VHntZC (Vloc(r)) without compensation charge in XC =====
 3  2  : radial mesh index, Vloc format (0=Vbare, 1=VH(tnzc) with hat in XC, 2=VH(tnzc) w/o hat in XC)
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