Paw atomic data for element Li - Generated by AtomPAW (N. Holzwarth) + AtomPAW2Abinit v3.1.1 3.000 3.000 20070409 : zatom,zion,pspdat 7 11 1 0 1277 0. : pspcod,pspxc,lmax,lloc,mmax,r2well paw3 1311 : pspfmt,creatorID 3 5 : basis_size,lmn_size 0 0 1 : orbitals 3 : number_of_meshes 1 2 1277 1.7850588108E-03 5.3551764324E-03 : mesh 1, type,size,rad_step[,log_step] 2 2 1272 1.7850588108E-03 5.3551764324E-03 : mesh 2, type,size,rad_step[,log_step] 3 2 1612 1.7850588108E-03 5.3551764324E-03 : mesh 3, type,size,rad_step[,log_step] 1.6112625727 : r_cut(PAW) 2 0. : shape_type,rshape ===== PHI 1 ===== #phi(r), for phi(r)/r*Ylm) 1 : radial mesh index 0.0000000000000000E+00 8.9214073750844221E-05 1.7890197632573651E-04 2.6906619008401579E-04 3.5970921606335709E-04 4.5083356815027957E-04 5.4244177310523722E-04 6.3453637064038622E-04 7.2711991348110340E-04 8.2019496742885643E-04 9.1376411142468032E-04 1.0078299376129289E-03 1.1023950514053001E-03 1.1974620715451310E-03 1.2930336301719670E-03 1.3891123728864030E-03 1.4857009588151980E-03 1.5828020606766620E-03 1.6804183648463219E-03 1.7785525714228559E-03 1.8772073942943080E-03 1.9763855612045791E-03 2.0760898138201889E-03 2.1763229077973239E-03 2.2770876128491639E-03 2.3783867128134750E-03 2.4802230057204928E-03 2.5825993038610909E-03 2.6855184338552131E-03 2.7889832367206041E-03 2.8929965679418100E-03 2.9975612975394680E-03 3.1026803101398821E-03 3.2083565050448669E-03 3.3145927963019010E-03 3.4213921127745372E-03 3.5287573982131248E-03 3.6366916113258021E-03 3.7451977258497701E-03 3.8542787306228752E-03 3.9639376296554604E-03 4.0741774422025081E-03 4.1850012028360854E-03 4.2964119615180518E-03 4.4084127836730887E-03 4.5210067502619959E-03 4.6341969578552883E-03 4.7479865187070730E-03 4.8623785608292421E-03 4.9773762280659372E-03 5.0929826801683082E-03 5.2092010928695663E-03 5.3260346579603532E-03 5.4434865833643542E-03 5.5615600932142663E-03 5.6802584279280104E-03 5.7995848442852632E-03 5.9195426155042950E-03 6.0401350313190709E-03 6.1613653980566764E-03 6.2832370387150309E-03 6.4057532930408964E-03 6.5289175176081859E-03 6.6527330858965651E-03 6.7772033883703618E-03 6.9023318325577582E-03 7.0281218431303069E-03 7.1545768619827154E-03 7.2817003483129569E-03 7.4094957787026548E-03 7.5379666471977972E-03 7.6671164653897188E-03 7.7969487624964164E-03 7.9274670854441367E-03 8.0586749989492775E-03 8.1905760856005923E-03 8.3231739459416858E-03 8.4564721985538136E-03 8.5904744801390022E-03 8.7251844456034382E-03 8.8606057681411832E-03 8.9967421393181788E-03 9.1335972691565393E-03 9.2711748862192092E-03 9.4094787376948381E-03 9.5485125894829923E-03 9.6882802262797038E-03 9.8287854516632637E-03 9.9700320881803608E-03 1.0112023977432480E-02 1.0254764980162661E-02 1.0398258976342490E-02 1.0542509865259441E-02 1.0687521565604530E-02 1.0833298015560190E-02 1.0979843172888561E-02 1.1127161015019990E-02 1.1275255539141880E-02 1.1424130762287800E-02 1.1573790721426960E-02 1.1724239473553919E-02 1.1875481095778630E-02 1.2027519685416760E-02 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2.8736051130893803E-01 2.9000412372225259E-01 2.9264192707595438E-01 2.9527372045752148E-01 2.9789930954571953E-01 3.0051850764780330E-01 3.0313113680763593E-01 3.0573702897721122E-01 3.0833602724046838E-01 3.1092798707406538E-01 3.1351277762494251E-01 3.1609028297903952E-01 3.1866040338949492E-01 3.2122305642614329E-01 3.2377817800127678E-01 3.2632572321970510E-01 ===== PHI 3 ===== #phi(r), for phi(r)/r*Ylm) 1 : radial mesh index 0.0000000000000000E+00 4.3422221545687877E-11 1.7457987006224580E-10 3.9490426116310869E-10 7.0581944214164085E-10 1.1087700155254920E-09 1.6052189764204770E-09 2.1966476484659099E-09 2.8845558272297730E-09 3.6704619695159000E-09 4.5559033978890063E-09 5.5424365122054646E-09 6.6316370054493686E-09 7.8251000828547224E-09 9.1244406838927017E-09 1.0531293706941711E-08 1.2047314236562470E-08 1.3674177773349610E-08 1.5413580466356062E-08 1.7267239348099550E-08 1.9236892572168288E-08 2.1324299653446570E-08 2.3531241710984429E-08 2.5859521713536830E-08 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2.0751313524468659E-01 2.0868954021935560E-01 2.0986919455684941E-01 2.1105206121839029E-01 2.1223810229679110E-01 2.1342727900683131E-01 2.1461955167639199E-01 2.1581487973863220E-01 2.1701322172555201E-01 2.1821453526334880E-01 2.1941877707005281E-01 2.2062590295600920E-01 2.2183586782787190E-01 2.2304862569688039E-01 2.2426412969231241E-01 2.2548233208113541E-01 2.2670318429502950E-01 2.2792663696611201E-01 2.2915263997287061E-01 2.3038114249799671E-01 2.3161209310001321E-01 2.3284543980080011E-01 2.3408113019133761E-01 2.3531911155821350E-01 2.3655933103365870E-01 2.3780173577209071E-01 2.3904627315634441E-01 2.4029289103693990E-01 2.4154153800787059E-01 2.4279216372247481E-01 2.4404471925295251E-01 2.4529915749701039E-01 2.4655543363489310E-01 2.4781350563971349E-01 2.4907333484344779E-01 2.5033488656021030E-01 2.5159813076741833E-01 2.5286304284416050E-01 2.5412960436445392E-01 2.5539780394108308E-01 2.5666763811331089E-01 2.5793911226891908E-01 2.5921224158774903E-01 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2.2310230382395199E-01 2.2577542808250109E-01 2.2845203719345530E-01 2.3113169323379590E-01 2.3381395843580219E-01 2.3649839577755311E-01 2.3918456959250470E-01 2.4187204619740590E-01 2.4456039453766071E-01 2.4724918684909419E-01 2.4993799933490371E-01 2.5262641285640458E-01 2.5531401363596867E-01 2.5800039397034658E-01 2.6068515295233358E-01 2.6336789719848003E-01 2.6604824158029078E-01 2.6872580995605028E-01 2.7140023590011331E-01 2.7407116342615351E-01 2.7673824770050232E-01 2.7940115574132368E-01 2.8205956709895341E-01 2.8471317451227640E-01 2.8736168453554062E-01 2.9000481812949758E-01 2.9264231121019080E-01 2.9527391514814061E-01 2.9789939721003239E-01 3.0051854093434249E-01 3.0313114643161421E-01 3.0573703059932589E-01 3.0833602724046849E-01 3.1092798707406533E-01 3.1351277762494251E-01 3.1609028297903952E-01 3.1866040338949492E-01 3.2122305642614329E-01 3.2377817800127678E-01 3.2632572321970510E-01 ===== TPHI 3 ===== #tphi(r), for tphi(r)/r*Ylm) 1 : radial mesh index 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