H - PAW data extracted from US-psp (D.Vanderbilt) - generated by USpp2Abinit v2.4.0 1.000 1.000 20130513 : zatom,zion,pspdat 7 11 0 0 354 0. : pspcod,pspxc,lmax,lloc,mmax,r2well paw4 2240 : pspfmt,creatorID 2 2 : basis_size,lmn_size 0 0 : orbitals 4 : number_of_meshes 1 2 354 2.4787521766663585E-03 1.6949152542372881E-02 : mesh 1, type,size,rad_step[,log_step] 2 2 350 2.4787521766663585E-03 1.6949152542372881E-02 : mesh 2, type,size,rad_step[,log_step] 3 2 490 2.4787521766663585E-03 1.6949152542372881E-02 : mesh 3, type,size,rad_step[,log_step] 4 2 507 2.4787521766663585E-03 1.6949152542372881E-02 : mesh 4, type,size,rad_step[,log_step] 0.9008263421 : r_cut(PAW) 3 0. : shape_type,rshape ===== PHI 1 ===== [phi(r)=PHI(r)/r*Ylm(th,ph)] 1 : radial mesh index 0.0000000000000000E+00 8.1146319204203338E-05 1.6367953314919522E-04 2.4762315105638228E-04 3.3300107219163687E-04 4.1983759254003158E-04 5.0815741115325811E-04 5.9798563659483781E-04 6.8934779348673691E-04 7.8226982915897557E-04 8.7677812040419631E-04 9.7289948033919501E-04 1.0706611653754318E-03 1.1700908823005698E-03 1.2712167954730973E-03 1.3740675341321080E-03 1.4786721998243174E-03 1.5850603739504061E-03 1.6932621254327682E-03 1.8033080185067434E-03 1.9152291206374174E-03 2.0290570105640357E-03 2.1448237864740926E-03 2.2625620743091236E-03 2.3823050362041967E-03 2.5040863790631194E-03 2.6279403632713015E-03 2.7539018115482201E-03 2.8820061179414039E-03 3.0122892569637962E-03 3.1447877928763635E-03 3.2795388891177423E-03 3.4165803178827087E-03 3.5559504698512035E-03 3.6976883640695976E-03 3.8418336579858748E-03 3.9884266576403005E-03 4.1375083280131703E-03 4.2891203035311382E-03 4.4433048987335636E-03 4.6001051191003227E-03 4.7595646720424052E-03 4.9217279780566000E-03 5.0866401820454992E-03 5.2543471648040267E-03 5.4248955546735518E-03 5.5983327393646851E-03 5.7747068779497191E-03 5.9540669130256421E-03 6.1364625830485717E-03 6.3219444348404184E-03 6.5105638362684464E-03 6.7023729890984844E-03 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===== [phi(r)=PHI(r)/r*Ylm(th,ph)] 1 : radial mesh index 0.0000000000000000E+00 1.5412130440230798E-04 3.1087673930758577E-04 4.7031095537753656E-04 6.3246934404232119E-04 7.9739805017478701E-04 9.6514398414283039E-04 1.1357548340472921E-03 1.3092790781522366E-03 1.4857659975106192E-03 1.6652656887890616E-03 1.8478290772955275E-03 2.0335079302137146E-03 2.2223548700480381E-03 2.4144233882830947E-03 2.6097678592615216E-03 2.8084435542841991E-03 3.0105066559367273E-03 3.2160142726461102E-03 3.4250244534715923E-03 3.6375962031335485E-03 3.8537894972843290E-03 4.0736652980249170E-03 4.2972855696712360E-03 4.5247132947738933E-03 4.7560124903951112E-03 4.9912482246465516E-03 5.2304866334916588E-03 5.4737949378161638E-03 5.7212414607702008E-03 5.9728956453855928E-03 6.2288280724716420E-03 6.4891104787927686E-03 6.7538157755312649E-03 7.0230180670383105E-03 7.2967926698763617E-03 7.5752161321558983E-03 7.8583662531694336E-03 8.1463221033256112E-03 8.4391640443860997E-03 8.7369737500078773E-03 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1.0495158761134717E+00 1.0430185666102718E+00 1.0358436795964625E+00 1.0279727980388251E+00 1.0193874912778382E+00 1.0100693460751700E+00 9.9999999999999989E-01 9.8916117725119646E-01 9.7753472706028666E-01 9.6510266477499806E-01 9.5184721578006148E-01 9.3775086235683325E-01 ===== TPHI 1 ===== [tphi(r)=TPHI(r)/r*Ylm(th,ph)] 1 : radial mesh index 0.0000000000000000E+00 5.3723204036565564E-05 1.0836473042462411E-04 1.6394027569023611E-04 2.2046580459209400E-04 2.7795755470150159E-04 3.3643204106034767E-04 3.9590606091837973E-04 4.5639669855112431E-04 5.1792133015980007E-04 5.8049762885462541E-04 6.4414356972290624E-04 7.0887743498333842E-04 7.7471781922798467E-04 8.4168363475338015E-04 9.0979411698228270E-04 9.7906882997757846E-04 1.0495276720499003E-03 1.1211908814605139E-03 1.1940790422210893E-03 1.2682130899919620E-03 1.3436143180805421E-03 1.4203043835415408E-03 1.4983053133807223E-03 1.5776395108638994E-03 1.6583297619329374E-03 1.7403992417305385E-03 1.8238715212356346E-03 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6.2218401350989894E-01 6.2743747136485117E-01 6.3267859283610761E-01 6.3790886250442880E-01 6.4312448817269274E-01 6.4831498220576211E-01 6.5346185498025922E-01 6.5853759463851014E-01 6.6350515863145598E-01 6.6831825231908115E-01 6.7292270820753042E-01 6.7725928949010106E-01 6.8126819657167725E-01 6.8489541352201111E-01 6.8810072979752179E-01 6.9086671723088688E-01 6.9320699570660360E-01 6.9517058411758714E-01 6.9683672106375794E-01 6.9829084760733440E-01 6.9957598620590389E-01 7.0069267611710551E-01 7.0163755297791575E-01 7.0240732695517305E-01 7.0299878916707736E-01 ===== TPHI 2 ===== [tphi(r)=TPHI(r)/r*Ylm(th,ph)] 1 : radial mesh index 0.0000000000000000E+00 1.0031428775560468E-04 2.0234330631386811E-04 3.0611636450097128E-04 4.1166327195780539E-04 5.1901434768898745E-04 6.2820042875732986E-04 7.3925287912619039E-04 8.5220359865220566E-04 9.6708503223091110E-04 1.0839301790978523E-03 1.2027726022877609E-03 1.3236464382544598E-03 1.4465864066542115E-03 1.5716278202952082E-03 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