37_Rb_9_2.8_3.3_pbe_n_v1.0.psp8

Rb    ONCVPSP-4.0.1  r_core=   3.02003   2.81083   3.30355
     37.0000      9.0000      220723    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  7.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
   0                         2.6510179721892E+00  4.9557662904986E-01
     1  0.0000000000000E+00  2.2787327580431E-13 -6.0003391144647E-13
     2  1.0000000000000E-02  3.5440758097430E-02 -8.0639626162022E-03
     3  2.0000000000000E-02  7.0853164840393E-02 -1.6109724722561E-02
     4  3.0000000000000E-02  1.0620889216465E-01 -2.4119100285775E-02
     5  4.0000000000000E-02  1.4147965858042E-01 -3.2073932245381E-02
     6  5.0000000000000E-02  1.7663725244472E-01 -3.9956107049355E-02
     7  6.0000000000000E-02  2.1165355521541E-01 -4.7747569248342E-02
     8  7.0000000000000E-02  2.4650056468094E-01 -5.5430336167272E-02
     9  8.0000000000000E-02  2.8115041815896E-01 -6.2986512672572E-02
    10  9.0000000000000E-02  3.1557541565706E-01 -7.0398306052385E-02
    11  1.0000000000000E-01  3.4974804298839E-01 -7.7648041026278E-02
    12  1.1000000000000E-01  3.8364099483450E-01 -8.4718174899892E-02
    13  1.2000000000000E-01  4.1722719774733E-01 -9.1591312878733E-02
    14  1.3000000000000E-01  4.5047983308169E-01 -9.8250223554046E-02
    15  1.4000000000000E-01  4.8337235984910E-01 -1.0467785457214E-01
    16  1.5000000000000E-01  5.1587853748316E-01 -1.1085734849707E-01
    17  1.6000000000000E-01  5.4797244850611E-01 -1.1677205887475E-01
    18  1.7000000000000E-01  5.7962852108522E-01 -1.2240556650491E-01
    19  1.8000000000000E-01  6.1082155146750E-01 -1.2774169592518E-01
    20  1.9000000000000E-01  6.4152672627981E-01 -1.3276453210982E-01
    21  2.0000000000000E-01  6.7171964468115E-01 -1.3745843738330E-01
    22  2.1000000000000E-01  7.0137634035288E-01 -1.4180806854700E-01
    23  2.2000000000000E-01  7.3047330331185E-01 -1.4579839421467E-01
    24  2.3000000000000E-01  7.5898750153058E-01 -1.4941471235054E-01
    25  2.4000000000000E-01  7.8689640234769E-01 -1.5264266800111E-01
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    30  2.9000000000000E-01  9.1661040562853E-01 -1.6248115217310E-01
    31  3.0000000000000E-01  9.4044493711877E-01 -1.6309919257330E-01
    32  3.1000000000000E-01  9.6353217075245E-01 -1.6323962800204E-01
    33  3.2000000000000E-01  9.8585430821257E-01 -1.6289153695693E-01
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    35  3.4000000000000E-01  1.0281355167606E+00 -1.6068867182175E-01
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    44  4.3000000000000E-01  1.1765262889311E+00 -1.2424652914205E-01
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    47  4.6000000000000E-01  1.2097857466374E+00 -1.0194119282334E-01
    48  4.7000000000000E-01  1.2189978903566E+00 -9.3346817560486E-02
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    51  5.0000000000000E-01  1.2409407541076E+00 -6.4077752479151E-02
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    77  7.6000000000000E-01  1.0829839420386E+00  3.8523753501609E-01
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    81  8.0000000000000E-01  1.0100384640838E+00  4.7672382085910E-01
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    95  9.4000000000000E-01  6.8873921166178E-01  8.0333138670098E-01
    96  9.5000000000000E-01  6.6310860699416E-01  8.2572294901435E-01
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    98  9.7000000000000E-01  6.1125022677918E-01  8.6964207021572E-01
    99  9.8000000000000E-01  5.8507983794299E-01  8.9111214261515E-01
   100  9.9000000000000E-01  5.5878694924440E-01  9.1221787141234E-01
   101  1.0000000000000E+00  5.3240025920347E-01  9.3293104567424E-01
   102  1.0100000000000E+00  5.0594839980191E-01  9.5322375527755E-01
   103  1.0200000000000E+00  4.7945989830649E-01  9.7306843988587E-01
   104  1.0300000000000E+00  4.5296313914316E-01  9.9243793788157E-01
   105  1.0400000000000E+00  4.2648632588651E-01  1.0113055351500E+00
   106  1.0500000000000E+00  4.0005744342977E-01  1.0296450136126E+00
   107  1.0600000000000E+00  3.7370422040064E-01  1.0474306994057E+00
   108  1.0700000000000E+00  3.4745409188863E-01  1.0646375105989E+00
   109  1.0800000000000E+00  3.2133416254922E-01  1.0812410043492E+00
   110  1.0900000000000E+00  2.9537117015044E-01  1.0972174233855E+00
   111  1.1000000000000E+00  2.6959144962674E-01  1.1125437417178E+00
   112  1.1100000000000E+00  2.4402089770489E-01  1.1271977094682E+00
   113  1.1200000000000E+00  2.1868493816587E-01  1.1411578967183E+00
   114  1.1300000000000E+00  1.9360848780616E-01  1.1544037362713E+00
   115  1.1400000000000E+00  1.6881592316063E-01  1.1669155652272E+00
   116  1.1500000000000E+00  1.4433104804870E-01  1.1786746652707E+00
   117  1.1600000000000E+00  1.2017706200376E-01  1.1896633015742E+00
   118  1.1700000000000E+00  9.6376529644892E-02  1.1998647602192E+00
   119  1.1800000000000E+00  7.2951351048362E-02  1.2092633840425E+00
   120  1.1900000000000E+00  4.9922733174740E-02  1.2178446068158E+00
   121  1.2000000000000E+00  2.7311162405890E-02  1.2255949856707E+00
   122  1.2100000000000E+00  5.1363782441285E-03  1.2325022316818E+00
   123  1.2200000000000E+00 -1.6582651775973E-02  1.2385552385281E+00
   124  1.2300000000000E+00 -3.7827755914907E-02  1.2437441091521E+00
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   127  1.2600000000000E+00 -9.8550196003881E-02  1.2540455731803E+00
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   131  1.3000000000000E+00 -1.7192401808278E-01  1.2553033246648E+00
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   142  1.4100000000000E+00 -3.2373139396619E-01  1.1858083096079E+00
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   447  4.4600000000000E+00  1.3076018951944E-02  1.3076307144685E-02  8.7610770953170E-10
   448  4.4700000000000E+00  1.2979729063711E-02  1.2980012607980E-02  8.2535862429523E-10
   449  4.4800000000000E+00  1.2884500417021E-02  1.2884779406745E-02  7.7755831147416E-10
   450  4.4900000000000E+00  1.2790310426911E-02  1.2790584953820E-02  7.3253485911492E-10
   451  4.5000000000000E+00  1.2697137114129E-02  1.2697407267806E-02  6.9012641510248E-10
   452  4.5100000000000E+00  1.2604959089212E-02  1.2605224957150E-02  6.5018059423793E-10
   453  4.5200000000000E+00  1.2513755536958E-02  1.2514017204610E-02  6.1255392191211E-10
   454  4.5300000000000E+00  1.2423506201283E-02  1.2423763752117E-02  5.7711131375217E-10
   455  4.5400000000000E+00  1.2334191370441E-02  1.2334444885988E-02  5.4372558023165E-10
   456  4.5500000000000E+00  1.2245791862624E-02  1.2246041422525E-02  5.1227696487903E-10
   457  4.5600000000000E+00  1.2158289011901E-02  1.2158534693957E-02  4.8265270889805E-10
   458  4.5700000000000E+00  1.2071664654516E-02  1.2071906534734E-02  4.5474663887911E-10
   459  4.5800000000000E+00  1.1985901115530E-02  1.1986139268166E-02  4.2845878267014E-10
   460  4.5900000000000E+00  1.1900981195786E-02  1.1901215693390E-02  4.0369500506679E-10
   461  4.6000000000000E+00  1.1816888159205E-02  1.1817119072663E-02  3.8036666480810E-10
   462  4.6100000000000E+00  1.1733605720407E-02  1.1733833118984E-02  3.5839029490508E-10
   463  4.6200000000000E+00  1.1651118032635E-02  1.1651341984014E-02  3.3768729765887E-10
   464  4.6300000000000E+00  1.1569409675986E-02  1.1569630246308E-02  3.1818365982762E-10
   465  4.6400000000000E+00  1.1488465645946E-02  1.1488682899846E-02  2.9980968548771E-10
   466  4.6500000000000E+00  1.1408271342206E-02  1.1408485342854E-02  2.8249974168882E-10
   467  4.6600000000000E+00  1.1328812557770E-02  1.1329023366907E-02  2.6619202156349E-10
   468  4.6700000000000E+00  1.1250075468344E-02  1.1250283146313E-02  2.5082832081523E-10
   469  4.6800000000000E+00  1.1172046621985E-02  1.1172251227771E-02  2.3635382590994E-10
   470  4.6900000000000E+00  1.1094712929026E-02  1.1094914520286E-02  2.2271691687950E-10
   471  4.7000000000000E+00  1.1018061652261E-02  1.1018260285359E-02  2.0986898028160E-10
   472  4.7100000000000E+00  1.0942080397371E-02  1.0942276127408E-02  1.9776423284081E-10
   473  4.7200000000000E+00  1.0866757103616E-02  1.0866949984462E-02  1.8635955723889E-10
   474  4.7300000000000E+00  1.0792080034750E-02  1.0792270119076E-02  1.7561434557547E-10
   475  4.7400000000000E+00  1.0718037770187E-02  1.0718225109491E-02  1.6549035253382E-10
   476  4.7500000000000E+00  1.0644619196387E-02  1.0644803841024E-02  1.5595155858257E-10
   477  4.7600000000000E+00  1.0571813498471E-02  1.0571995497683E-02  1.4696403892813E-10
   478  4.7700000000000E+00  1.0499610152055E-02  1.0499789553997E-02  1.3849584146764E-10
   479  4.7800000000000E+00  1.0427998915303E-02  1.0428175767066E-02  1.3051687234937E-10
   480  4.7900000000000E+00  1.0356969821173E-02  1.0357144168818E-02  1.2299878671295E-10
   481  4.8000000000000E+00  1.0286513169886E-02  1.0286685058462E-02  1.1591488700670E-10
   482  4.8100000000000E+00  1.0216619521586E-02  1.0216788995156E-02  1.0924002727470E-10
   483  4.8200000000000E+00  1.0147279689184E-02  1.0147446790852E-02  1.0295052206455E-10
   484  4.8300000000000E+00  1.0078484731408E-02  1.0078649503340E-02  9.7024061689829E-11
   485  4.8400000000000E+00  1.0010225946027E-02  1.0010388429473E-02  9.1439632170585E-11
   486  4.8500000000000E+00  9.9424948632537E-03  9.9426550985731E-03  8.6177439283556E-11
   487  4.8600000000000E+00  9.8752832393291E-03  9.8754412660085E-03  8.1218837926987E-11
   488  4.8700000000000E+00  9.8085830502719E-03  9.8087389069483E-03  7.6546265153131E-11
   489  4.8800000000000E+00  9.7423864857947E-03  9.7425402102756E-03  7.2143176835822E-11
   490  4.8900000000000E+00  9.6766859433864E-03  9.6768375726701E-03  6.7993988774652E-11
   491  4.9000000000000E+00  9.6114740225487E-03  9.6116235928433E-03  6.4084020681188E-11
   492  4.9100000000000E+00  9.5467435191857E-03  9.5468910659283E-03  6.0399443358216E-11
   493  4.9200000000000E+00  9.4824874201480E-03  9.4826329780234E-03  5.6927229578811E-11
   494  4.9300000000000E+00  9.4186988979184E-03  9.4188425008769E-03  5.3655107239368E-11
   495  4.9400000000000E+00  9.3553713054398E-03  9.3555129867147E-03  5.0571515295652E-11
   496  4.9500000000000E+00  9.2924981710860E-03  9.2926379632114E-03  4.7665562783365E-11
   497  4.9600000000000E+00  9.2300731937628E-03  9.2302111285895E-03  4.4926989643528E-11
   498  4.9700000000000E+00  9.1680902381400E-03  9.1682263468522E-03  4.2346129953629E-11
   499  4.9800000000000E+00  9.1065433300171E-03  9.1066776431483E-03  3.9913877731081E-11
   500  4.9900000000000E+00  9.0454266518068E-03  9.0455591992554E-03  3.7621654180520E-11
   501  5.0000000000000E+00  8.9847345381416E-03  8.9848653491855E-03  3.5461377002892E-11
   502  5.0100000000000E+00  8.9244614716023E-03  8.9245905749142E-03  3.3425431851357E-11
   503  5.0200000000000E+00  8.8646020785558E-03  8.8647295022171E-03  3.1506644953965E-11
   504  5.0300000000000E+00  8.8051511251057E-03  8.8052768966209E-03  2.9698257487336E-11
   505  5.0400000000000E+00  8.7461035131571E-03  8.7462276594670E-03  2.7993901744034E-11
   506  5.0500000000000E+00  8.6874542765797E-03  8.6875768240751E-03  2.6387578254622E-11
   507  5.0600000000000E+00  8.6291985774769E-03  8.6293195520113E-03  2.4873634382345E-11
   508  5.0700000000000E+00  8.5713317025592E-03  8.5714511294614E-03  2.3446744418389E-11
   509  5.0800000000000E+00  8.5138490596084E-03  8.5139669636950E-03  2.2101890470052E-11
   510  5.0900000000000E+00  8.4567461740395E-03  8.4568625796270E-03  2.0834344574130E-11
   511  5.1000000000000E+00  8.4000186855587E-03  8.4001336164747E-03  1.9639652067336E-11
   512  5.1100000000000E+00  8.3436623449051E-03  8.3437758245005E-03  1.8513615626754E-11
   513  5.1200000000000E+00  8.2876730106827E-03  8.2877850618421E-03  1.7452280317249E-11
   514  5.1300000000000E+00  8.2320466462796E-03  8.2321572914325E-03  1.6451919693155E-11
   515  5.1400000000000E+00  8.1767793168669E-03  8.1768885779984E-03  1.5509022477131E-11
   516  5.1500000000000E+00  8.1218671864775E-03  8.1219750851383E-03  1.4620280054775E-11
   517  5.1600000000000E+00  8.0673065151681E-03  8.0674130724849E-03  1.3782574854331E-11
   518  5.1700000000000E+00  8.0130936562532E-03  8.0131988929382E-03  1.2992969233628E-11
   519  5.1800000000000E+00  7.9592250536126E-03  7.9593289899734E-03  1.2248695016572E-11
   520  5.1900000000000E+00  7.9056972390760E-03  7.9057998950246E-03  1.1547143773094E-11
   521  5.2000000000000E+00  7.8525068298739E-03  7.8526082249359E-03  1.0885857553738E-11
   522  5.2100000000000E+00  7.7996505261561E-03  7.7997506794799E-03  1.0262520130529E-11
   523  5.2200000000000E+00  7.7471251085809E-03  7.7472240389460E-03  9.6749488623205E-12
   524  5.2300000000000E+00  7.6949274359660E-03  7.6950251617914E-03  9.1210869749890E-12
   525  5.2400000000000E+00  7.6430544430017E-03  7.6431509823545E-03  8.5989962256463E-12
   526  5.2500000000000E+00  7.5915031380276E-03  7.5915985086306E-03  8.1068500910577E-12
   527  5.2600000000000E+00  7.5402706008693E-03  7.5403648201090E-03  7.6429273401516E-12
   528  5.2700000000000E+00  7.4893539807292E-03  7.4894470656637E-03  7.2056058876055E-12
   529  5.2800000000000E+00  7.4387504941377E-03  7.4388424615037E-03  6.7933570868023E-12
   530  5.2900000000000E+00  7.3884574229596E-03  7.3885482891800E-03  6.4047403821141E-12
   531  5.3000000000000E+00  7.3384721124503E-03  7.3385618936411E-03  6.0383981570579E-12
   532  5.3100000000000E+00  7.2887919693662E-03  7.2888806813434E-03  5.6930509498344E-12
   533  5.3200000000000E+00  7.2394144601287E-03  7.2395021184152E-03  5.3674930068859E-12
   534  5.3300000000000E+00  7.1903371090320E-03  7.1904237288641E-03  5.0605879613352E-12
   535  5.3400000000000E+00  7.1415574965016E-03  7.1416430928354E-03  4.7712648302047E-12
   536  5.3500000000000E+00  7.0930732574022E-03  7.0931578449197E-03  4.4985142981630E-12
   537  5.3600000000000E+00  7.0448820793865E-03  7.0449656725021E-03  4.2413851115386E-12
   538  5.3700000000000E+00  6.9969817012902E-03  6.9970643141562E-03  3.9989807244272E-12
   539  5.3800000000000E+00  6.9493699115719E-03  6.9494515580846E-03  3.7704561811535E-12
   540  5.3900000000000E+00  6.9020445467931E-03  6.9021252405983E-03  3.5550151215731E-12
   541  5.4000000000000E+00  6.8550034901385E-03  6.8550832446370E-03  3.3519069638903E-12
   542  5.4100000000000E+00  6.8082446699783E-03  6.8083234983315E-03  3.1604242879027E-12
   543  5.4200000000000E+00  6.7617660584692E-03  6.7618439736042E-03  2.9799003512045E-12
   544  5.4300000000000E+00  6.7155656701903E-03  6.7156426848051E-03  2.8097067216100E-12
   545  5.4400000000000E+00  6.6696415608193E-03  6.6697176873877E-03  2.6492510786923E-12
   546  5.4500000000000E+00  6.6239918258440E-03  6.6240670766205E-03  2.4979751560109E-12
   547  5.4600000000000E+00  6.5786145993068E-03  6.5786889863315E-03  2.3553527505659E-12
   548  5.4700000000000E+00  6.5335080525845E-03  6.5335815876876E-03  2.2208878754327E-12
   549  5.4800000000000E+00  6.4886703932037E-03  6.4887430880099E-03  2.0941130538269E-12
   550  5.4900000000000E+00  6.4440998636842E-03  6.4441717296174E-03  1.9745876457100E-12
   551  5.5000000000000E+00  6.3997947404165E-03  6.3998657887041E-03  1.8618963043688E-12
   552  5.5100000000000E+00  6.3557533325713E-03  6.3558235742482E-03  1.7556475404703E-12
   553  5.5200000000000E+00  6.3119739810366E-03  6.3120434269494E-03  1.6554723377803E-12
   554  5.5300000000000E+00  6.2684550573844E-03  6.2685237181954E-03  1.5610228528185E-12
   555  5.5400000000000E+00  6.2251949628678E-03  6.2252628490589E-03  1.4719712063796E-12
   556  5.5500000000000E+00  6.1821921274446E-03  6.1822592493213E-03  1.3880083406227E-12
   557  5.5600000000000E+00  6.1394450088277E-03  6.1395113765225E-03  1.3088429230046E-12
   558  5.5700000000000E+00  6.0969520915622E-03  6.0970177150385E-03  1.2342003280225E-12
   559  5.5800000000000E+00  6.0547118861305E-03  6.0547767751858E-03  1.1638216947239E-12
   560  5.5900000000000E+00  6.0127229280788E-03  6.0127870923486E-03  1.0974630015701E-12
   561  5.6000000000000E+00  5.9709837771705E-03  5.9710472261315E-03  1.0348942144881E-12
   562  5.6100000000000E+00  5.9294930165648E-03  5.9295557595380E-03  9.7589849636598E-13
   563  5.6200000000000E+00  5.8882492520154E-03  5.8883112981696E-03  9.2027143970242E-13
   564  5.6300000000000E+00  5.8472511110948E-03  5.8473124694493E-03  8.6782034926720E-13
   565  5.6400000000000E+00  5.8064972424393E-03  5.8065579218677E-03  8.1836357480143E-13
   566  5.6500000000000E+00  5.7659863150176E-03  5.7660463242501E-03  7.7172988020117E-13
   567  5.6600000000000E+00  5.7257170174184E-03  5.7257763650450E-03  7.2775783717224E-13
   568  5.6700000000000E+00  5.6856880571594E-03  5.6857467516329E-03  6.8629526153020E-13
   569  5.6800000000000E+00  5.6458981600189E-03  5.6459562096572E-03  6.4719869531044E-13
   570  5.6900000000000E+00  5.6063460693833E-03  5.6064034823725E-03  6.1033289324339E-13
   571  5.7000000000000E+00  5.5670305456161E-03  5.5670873300131E-03  5.7557035249983E-13
   572  5.7100000000000E+00  5.5279503654461E-03  5.5280065291813E-03  5.4279087478254E-13
   573  5.7200000000000E+00  5.4891043213732E-03  5.4891598722526E-03  5.1188114450829E-13
   574  5.7300000000000E+00  5.4504912210915E-03  5.4505461667995E-03  4.8273433064252E-13
   575  5.7400000000000E+00  5.4121098869308E-03  5.4121642350326E-03  4.5524971606294E-13
   576  5.7500000000000E+00  5.3739591553160E-03  5.3740129132600E-03  4.2933235267286E-13
   577  5.7600000000000E+00  5.3360378762414E-03  5.3360910513611E-03  4.0489272340923E-13
   578  5.7700000000000E+00  5.2983449127615E-03  5.2983975122783E-03  3.8184643100964E-13
   579  5.7800000000000E+00  5.2608791405000E-03  5.2609311715249E-03  3.6011391056748E-13
   580  5.7900000000000E+00  5.2236394471715E-03  5.2236909167075E-03  3.3962014816417E-13
   581  5.8000000000000E+00  5.1866247321195E-03  5.1866756470637E-03  3.2029441897414E-13
   582  5.8100000000000E+00  5.1498339058695E-03  5.1498842730150E-03  3.0207004306185E-13
   583  5.8200000000000E+00  5.1132658896966E-03  5.1133157157347E-03  2.8488415629409E-13
   584  5.8300000000000E+00  5.0769196152065E-03  5.0769689067282E-03  2.6867748742864E-13
   585  5.8400000000000E+00  5.0407940239299E-03  5.0408427874285E-03  2.5339415217589E-13
   586  5.8500000000000E+00  5.0048880669327E-03  5.0049363088049E-03  2.3898146400107E-13
   587  5.8600000000000E+00  4.9692007044363E-03  4.9692484309846E-03  2.2538974710727E-13
   588  5.8700000000000E+00  4.9337309054523E-03  4.9337781228865E-03  2.1257216373256E-13
   589  5.8800000000000E+00  4.8984776474295E-03  4.8985243618685E-03  2.0048455283477E-13
   590  5.8900000000000E+00  4.8634399159134E-03  4.8634861333868E-03  1.8908527854210E-13
   591  5.9000000000000E+00  4.8286167042166E-03  4.8286624306664E-03  1.7833508267369E-13
   592  5.9100000000000E+00  4.7940070131009E-03  4.7940522543832E-03  1.6819694855934E-13
   593  5.9200000000000E+00  4.7596098504725E-03  4.7596546123590E-03  1.5863597609169E-13
   594  5.9300000000000E+00  4.7254242310855E-03  4.7254685192650E-03  1.4961925799887E-13
   595  5.9400000000000E+00  4.6914491762580E-03  4.6914929963380E-03  1.4111576557978E-13
   596  5.9500000000000E+00  4.6576837135978E-03  4.6577270711061E-03  1.3309624180790E-13
   597  5.9600000000000E+00  4.6241268767394E-03  4.6241697771252E-03  1.2553310162369E-13
   598  5.9700000000000E+00  4.5907777050893E-03  4.5908201537248E-03  1.1840033396605E-13
   599  5.9800000000000E+00  4.5576352435819E-03  4.5576772457637E-03  1.1167341181526E-13
   600  5.9900000000000E+00  4.5246985424454E-03  4.5247401033957E-03  1.0532920932504E-13
<INPUT>
#
#ONCVPSP  (Optimized Norm-Conservinng Vanderbilt PSeudopotential)
#scalar-relativistic version 4.0.1 06/04/2019
#
#While it is not required under the terms of the GNU GPL, it is
#suggested that you cite D. R. Hamann, Phys. Rev. B 88, 085117 (2013)
#in any publication utilizing these pseudopotentials.
#
# ATOM AND REFERENCE CONFIGURATION
# atsym  z   nc   nv     iexc    psfile
  Rb 37.00    6    3       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
    3    0    2.00
    3    1    6.00
    3    2   10.00
    4    0    2.00
    4    1    6.00
    5    0    1.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   3.00927  -1.17207    4    8   5.40000
    1   2.80000  -0.58667    4    8   4.50000
    2   3.30000   0.10000    4    8   6.00000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.96850      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.50000
    1    2   1.50000
    2    2   1.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   7.00000   1.25000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    6.0000    0.0100
#
# TEST CONFIGURATIONS
# ncnf
    0
# nvcnf
#   n    l    f
</INPUT>

<INFO>
# *********************************************************************************************** #
# Copyright (c) 2022 Material Physics & Mechanics Group, Georgia Tech                             #
# Distributed under GNU General Public License 3 (GPL) (https://www.gnu.org/licenses/)            #
# Mostafa Faghih Shojaei, John E. Pask, Andrew J. Medford, and Phanish Suryanarayana.             #
# "Soft and transferable pseudopotentials from multi-objective optimization."                     #
# Computer Physics Communications 283 (2023): 108594. (https://doi.org/10.1016/j.cpc.2022.108594) #
# Acknowledgment: U.S. Department of Energy (DOE), Office of Science (SC): DE-SC0019410           #
# *********************************************************************************************** #
# Ecut (1e-3 Ha/atom accuracy):   7 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):   9 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.58 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.51 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
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