15_P_5_1.8_1.9_pbe_n_v1.0.psp8

P     ONCVPSP-4.0.1  r_core=   1.80468   1.80468   1.90450
     15.0000      5.0000      211017    zatom,zion,pspd
     8      11   2     4   600     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  5.99000000  5.00000000  0.00000000    rchrg fchrg qchrg
     2     2     2     0     0    nproj
     1     1           extension_switch
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   188  1.8700000000000E+00  8.4847019770459E-03 -2.6273689032015E-02
   189  1.8800000000000E+00  4.3469260657573E-03 -1.3377950817932E-02
   190  1.8900000000000E+00  1.5298340713126E-03 -4.6825717427333E-03
   191  1.9000000000000E+00  1.9678974388490E-04 -5.9887638028570E-04
   192  1.9100000000000E+00 -4.5443830889343E-05  1.3806819831630E-04
   193  1.9200000000000E+00  1.3648823610526E-05 -4.1556646141453E-05
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   4
     1  0.0000000000000E+00 -7.0793216040741E+00
     2  1.0000000000000E-02 -7.0789751641713E+00
     3  2.0000000000000E-02 -7.0779360413795E+00
     4  3.0000000000000E-02 -7.0762060549610E+00
     5  4.0000000000000E-02 -7.0737880139210E+00
     6  5.0000000000000E-02 -7.0706858133702E+00
     7  6.0000000000000E-02 -7.0669043981697E+00
     8  7.0000000000000E-02 -7.0624497171986E+00
     9  8.0000000000000E-02 -7.0573286693342E+00
    10  9.0000000000000E-02 -7.0515490420138E+00
    11  1.0000000000000E-01 -7.0451194435595E+00
    12  1.1000000000000E-01 -7.0380492303672E+00
    13  1.2000000000000E-01 -7.0303484302320E+00
    14  1.3000000000000E-01 -7.0220276629917E+00
    15  1.4000000000000E-01 -7.0130980597513E+00
    16  1.5000000000000E-01 -7.0035711817572E+00
    17  1.6000000000000E-01 -6.9934589401147E+00
    18  1.7000000000000E-01 -6.9827735172811E+00
    19  1.8000000000000E-01 -6.9715272912133E+00
    20  1.9000000000000E-01 -6.9597327629918E+00
    21  2.0000000000000E-01 -6.9474024885149E+00
    22  2.1000000000000E-01 -6.9345490147801E+00
    23  2.2000000000000E-01 -6.9211848211454E+00
    24  2.3000000000000E-01 -6.9073222658117E+00
    25  2.4000000000000E-01 -6.8929735376454E+00
    26  2.5000000000000E-01 -6.8781506134157E+00
    27  2.6000000000000E-01 -6.8628652203232E+00
    28  2.7000000000000E-01 -6.8471288036881E+00
    29  2.8000000000000E-01 -6.8309524995848E+00
    30  2.9000000000000E-01 -6.8143471121476E+00
    31  3.0000000000000E-01 -6.7973230952127E+00
    32  3.1000000000000E-01 -6.7798905379453E+00
    33  3.2000000000000E-01 -6.7620591541594E+00
    34  3.3000000000000E-01 -6.7438382748534E+00
    35  3.4000000000000E-01 -6.7252368437398E+00
    36  3.5000000000000E-01 -6.7062634152796E+00
    37  3.6000000000000E-01 -6.6869261550813E+00
    38  3.7000000000000E-01 -6.6672328421918E+00
    39  3.8000000000000E-01 -6.6471908731670E+00
    40  3.9000000000000E-01 -6.6268072676371E+00
    41  4.0000000000000E-01 -6.6060886751399E+00
    42  4.1000000000000E-01 -6.5850413832093E+00
    43  4.2000000000000E-01 -6.5636713264068E+00
    44  4.3000000000000E-01 -6.5419840963881E+00
    45  4.4000000000000E-01 -6.5199849528165E+00
    46  4.5000000000000E-01 -6.4976788350971E+00
    47  4.6000000000000E-01 -6.4750703749705E+00
    48  4.7000000000000E-01 -6.4521639097423E+00
    49  4.8000000000000E-01 -6.4289634963136E+00
    50  4.9000000000000E-01 -6.4054729257394E+00
    51  5.0000000000000E-01 -6.3816957383156E+00
    52  5.1000000000000E-01 -6.3576352390045E+00
    53  5.2000000000000E-01 -6.3332945129080E+00
    54  5.3000000000000E-01 -6.3086764407061E+00
    55  5.4000000000000E-01 -6.2837837133740E+00
    56  5.5000000000000E-01 -6.2586188460601E+00
    57  5.6000000000000E-01 -6.2331841903442E+00
    58  5.7000000000000E-01 -6.2074819444376E+00
    59  5.8000000000000E-01 -6.1815141606302E+00
    60  5.9000000000000E-01 -6.1552827488062E+00
    61  6.0000000000000E-01 -6.1287894761971E+00
    62  6.1000000000000E-01 -6.1020359615686E+00
    63  6.2000000000000E-01 -6.0750236638452E+00
    64  6.3000000000000E-01 -6.0477538641882E+00
    65  6.4000000000000E-01 -6.0202276412761E+00
    66  6.5000000000000E-01 -5.9924458394962E+00
    67  6.6000000000000E-01 -5.9644090302943E+00
    68  6.7000000000000E-01 -5.9361174672646E+00
    69  6.8000000000000E-01 -5.9075710360893E+00
    70  6.9000000000000E-01 -5.8787692011443E+00
    71  7.0000000000000E-01 -5.8497109511957E+00
    72  7.1000000000000E-01 -5.8203947475003E+00
    73  7.2000000000000E-01 -5.7908184783324E+00
    74  7.3000000000000E-01 -5.7609794246904E+00
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   449  4.4800000000000E+00  8.8258219054672E-03  8.8261846265112E-03  1.0166618323591E-10
   450  4.4900000000000E+00  8.6814376009297E-03  8.6817943376423E-03  9.5300201067904E-11
   451  4.5000000000000E+00  8.5394858648763E-03  8.5398367198070E-03  8.9333666012993E-11
   452  4.5100000000000E+00  8.3999243458441E-03  8.4002694197131E-03  8.3741458446161E-11
   453  4.5200000000000E+00  8.2627114523618E-03  8.2630508440936E-03  7.8500042059602E-11
   454  4.5300000000000E+00  8.1278063390695E-03  8.1281401458260E-03  7.3587364146852E-11
   455  4.5400000000000E+00  7.9951688930868E-03  7.9954972103005E-03  6.8982761274781E-11
   456  4.5500000000000E+00  7.8647597206320E-03  7.8650826420376E-03  6.4666872006093E-11
   457  4.5600000000000E+00  7.7365401338815E-03  7.7368577515476E-03  6.0621554564595E-11
   458  4.5700000000000E+00  7.6104721380675E-03  7.6107845424273E-03  5.6829809500114E-11
   459  4.5800000000000E+00  7.4865184188129E-03  7.4868256986944E-03  5.3275708130075E-11
   460  4.5900000000000E+00  7.3646423296935E-03  7.3649445723492E-03  4.9944324522355E-11
   461  4.6000000000000E+00  7.2448078800277E-03  7.2451051711638E-03  4.6821672209625E-11
   462  4.6100000000000E+00  7.1269797228909E-03  7.1272721466957E-03  4.3894645297304E-11
   463  4.6200000000000E+00  7.0111231433448E-03  7.0114107825167E-03  4.1150962452815E-11
   464  4.6300000000000E+00  6.8972040468844E-03  6.8974869826593E-03  3.8579115102483E-11
   465  4.6400000000000E+00  6.7851889480955E-03  6.7854672602738E-03  3.6168318807894E-11
   466  4.6500000000000E+00  6.6750449595181E-03  6.6753187264912E-03  3.3908467302597E-11
   467  4.6600000000000E+00  6.5667397807162E-03  6.5670090794921E-03  3.1790090008797E-11
   468  4.6700000000000E+00  6.4602416875455E-03  6.4605065937747E-03  2.9804311889478E-11
   469  4.6800000000000E+00  6.3555195216186E-03  6.3557801096185E-03  2.7942815743354E-11
   470  4.6900000000000E+00  6.2525426799642E-03  6.2527990227439E-03  2.6197807351701E-11
   471  4.7000000000000E+00  6.1512811048745E-03  6.1515332741588E-03  2.4561982322533E-11
   472  4.7100000000000E+00  6.0517052739395E-03  6.0519533401922E-03  2.3028495174536E-11
   473  4.7200000000000E+00  5.9537861902664E-03  5.9540302227135E-03  2.1590930713481E-11
   474  4.7300000000000E+00  5.8574953728753E-03  5.8577354395277E-03  2.0243276659871E-11
   475  4.7400000000000E+00  5.7628048472739E-03  5.7630410149495E-03  1.8979898344788E-11
   476  4.7500000000000E+00  5.6696871362061E-03  5.6699194705517E-03  1.7795515086576E-11
   477  4.7600000000000E+00  5.5781152505685E-03  5.5783438160813E-03  1.6685177705225E-11
   478  4.7700000000000E+00  5.4880626804970E-03  5.4882875405451E-03  1.5644247754839E-11
   479  4.7800000000000E+00  5.3995033866162E-03  5.3997246034597E-03  1.4668378032318E-11
   480  4.7900000000000E+00  5.3124117914496E-03  5.3126294262606E-03  1.3753494108992E-11
   481  4.8000000000000E+00  5.2267627709903E-03  5.2269768838726E-03  1.2895777282146E-11
   482  4.8100000000000E+00  5.1425316464257E-03  5.1427422964343E-03  1.2091648491036E-11
   483  4.8200000000000E+00  5.0596941760148E-03  5.0599014211750E-03  1.1337753148814E-11
   484  4.8300000000000E+00  4.9782265471170E-03  4.9784304444431E-03  1.0630947143284E-11
   485  4.8400000000000E+00  4.8981053683670E-03  4.8983059738807E-03  9.9682835646543E-12
   486  4.8500000000000E+00  4.8193076619942E-03  4.8195050307423E-03  9.3470002474058E-12
   487  4.8600000000000E+00  4.7418108562855E-03  4.7420050423581E-03  8.7645082716962E-12
   488  4.8700000000000E+00  4.6655927781863E-03  4.6657838347336E-03  8.2183810123402E-12
   489  4.8800000000000E+00  4.5906316460377E-03  4.5908196252873E-03  7.7063439051559E-12
   490  4.8900000000000E+00  4.5169060624508E-03  4.5170910157244E-03  7.2262649997270E-12
   491  4.9000000000000E+00  4.4443950073105E-03  4.4445769850399E-03  6.7761459250953E-12
   492  4.9100000000000E+00  4.3730778309082E-03  4.3732568826520E-03  6.3541134817480E-12
   493  4.9200000000000E+00  4.3029342472059E-03  4.3031104216646E-03  5.9584118777154E-12
   494  4.9300000000000E+00  4.2339443272197E-03  4.2341176722518E-03  5.5873952770522E-12
   495  4.9400000000000E+00  4.1660884925290E-03  4.1662590551655E-03  5.2395208900484E-12
   496  4.9500000000000E+00  4.0993475089067E-03  4.0995153353665E-03  4.9133425911088E-12
   497  4.9600000000000E+00  4.0337024800644E-03  4.0338676157688E-03  4.6075047736715E-12
   498  4.9700000000000E+00  3.9691348415155E-03  3.9692973311025E-03  4.3207366727577E-12
   499  4.9800000000000E+00  3.9056263545534E-03  3.9057862418916E-03  4.0518471119042E-12
   500  4.9900000000000E+00  3.8431591003381E-03  3.8433164285406E-03  3.7997194424125E-12
   501  5.0000000000000E+00  3.7817154740938E-03  3.7818702855321E-03  3.5633068741032E-12
   502  5.0100000000000E+00  3.7212781794165E-03  3.7214305157333E-03  3.3416281511248E-12
   503  5.0200000000000E+00  3.6618302226831E-03  3.6619801248056E-03  3.1337633856964E-12
   504  5.0300000000000E+00  3.6033549075663E-03  3.6035024157189E-03  2.9388502154097E-12
   505  5.0400000000000E+00  3.5458358296524E-03  3.5459809833693E-03  2.7560802452105E-12
   506  5.0500000000000E+00  3.4892568711561E-03  3.4893997092938E-03  2.5846956165697E-12
   507  5.0600000000000E+00  3.4336021957348E-03  3.4337427564839E-03  2.4239858438010E-12
   508  5.0700000000000E+00  3.3788562434006E-03  3.3789945642979E-03  2.2732848877236E-12
   509  5.0800000000000E+00  3.3250037255233E-03  3.3251398434634E-03  2.1319683295671E-12
   510  5.0900000000000E+00  3.2720296199279E-03  3.2721635711746E-03  1.9994507652443E-12
   511  5.1000000000000E+00  3.2199191660848E-03  3.2200509862822E-03  1.8751833997228E-12
   512  5.1100000000000E+00  3.1686578603852E-03  3.1687875845691E-03  1.7586517179986E-12
   513  5.1200000000000E+00  3.1182314515066E-03  3.1183591141149E-03  1.6493733395143E-12
   514  5.1300000000000E+00  3.0686259358651E-03  3.0687515707487E-03  1.5468960385586E-12
   515  5.1400000000000E+00  3.0198275531494E-03  3.0199511935826E-03  1.4507958270292E-12
   516  5.1500000000000E+00  2.9718227819386E-03  2.9719444606290E-03  1.3606751868493E-12
   517  5.1600000000000E+00  2.9245983354028E-03  2.9247180845018E-03  1.2761614392008E-12
   518  5.1700000000000E+00  2.8781411570813E-03  2.8782590081935E-03  1.1969051685622E-12
   519  5.1800000000000E+00  2.8324384167386E-03  2.8325544009319E-03  1.1225787651204E-12
   520  5.1900000000000E+00  2.7874775063003E-03  2.7875916541152E-03  1.0528750808399E-12
   521  5.2000000000000E+00  2.7432460358610E-03  2.7433583773197E-03  9.8750613508042E-13
   522  5.2100000000000E+00  2.6997318297668E-03  2.6998423943828E-03  9.2620191193617E-13
   523  5.2200000000000E+00  2.6569229227721E-03  2.6570317395588E-03  8.6870925206261E-13
   524  5.2300000000000E+00  2.6148075562656E-03  2.6149146537452E-03  8.1479079055194E-13
   525  5.2400000000000E+00  2.5733741745663E-03  2.5734795807786E-03  7.6422396401837E-13
   526  5.2500000000000E+00  2.5326114212891E-03  2.5327151637997E-03  7.1680009623453E-13
   527  5.2600000000000E+00  2.4925081357770E-03  2.4926102416861E-03  6.7232352748513E-13
   528  5.2700000000000E+00  2.4530533495984E-03  2.4531538455485E-03  6.3061079433354E-13
   529  5.2800000000000E+00  2.4142362831107E-03  2.4143351952948E-03  5.9148987463081E-13
   530  5.2900000000000E+00  2.3760463420867E-03  2.3761436962563E-03  5.5479947460565E-13
   531  5.3000000000000E+00  2.3384731144024E-03  2.3385689358752E-03  5.2038835090845E-13
   532  5.3100000000000E+00  2.3015063667872E-03  2.3016006804547E-03  4.8811468673752E-13
   533  5.3200000000000E+00  2.2651360416344E-03  2.2652288719691E-03  4.5784550872264E-13
   534  5.3300000000000E+00  2.2293522538686E-03  2.2294436249318E-03  4.2945612630867E-13
   535  5.3400000000000E+00  2.1941452878723E-03  2.1942352233209E-03  4.0282961582963E-13
   536  5.3500000000000E+00  2.1595055944702E-03  2.1595941175638E-03  3.7785634402660E-13
   537  5.3600000000000E+00  2.1254237879661E-03  2.1255109215743E-03  3.5443350409850E-13
   538  5.3700000000000E+00  2.0918906432368E-03  2.0919764098456E-03  3.3246468982440E-13
   539  5.3800000000000E+00  2.0588970928797E-03  2.0589815145983E-03  3.1185950433460E-13
   540  5.3900000000000E+00  2.0264342244107E-03  2.0265173229781E-03  2.9253317800104E-13
   541  5.4000000000000E+00  1.9944932775153E-03  1.9945750743068E-03  2.7440621707256E-13
   542  5.4100000000000E+00  1.9630656413508E-03  1.9631461573843E-03  2.5740407977787E-13
   543  5.4200000000000E+00  1.9321428518968E-03  1.9322221078387E-03  2.4145686461708E-13
   544  5.4300000000000E+00  1.9017165893541E-03  1.9017946055259E-03  2.2649901902455E-13
   545  5.4400000000000E+00  1.8717786755930E-03  1.8718554719769E-03  2.1246907111068E-13
   546  5.4500000000000E+00  1.8423210716478E-03  1.8423966678930E-03  1.9930937586433E-13
   547  5.4600000000000E+00  1.8133358752564E-03  1.8134102906843E-03  1.8696587344245E-13
   548  5.4700000000000E+00  1.7848153184455E-03  1.7848885720558E-03  1.7538786672430E-13
   549  5.4800000000000E+00  1.7567517651615E-03  1.7568238756377E-03  1.6452781498466E-13
   550  5.4900000000000E+00  1.7291377089425E-03  1.7292086946571E-03  1.5434113322018E-13
   551  5.5000000000000E+00  1.7019657706336E-03  1.7020356496539E-03  1.4478600794709E-13
   552  5.5100000000000E+00  1.6752286961463E-03  1.6752974862395E-03  1.3582322874172E-13
   553  5.5200000000000E+00  1.6489193542556E-03  1.6489870728937E-03  1.2741602229668E-13
   554  5.5300000000000E+00  1.6230307344386E-03  1.6230973988038E-03  1.1952990062443E-13
   555  5.5400000000000E+00  1.5975559447540E-03  1.5976215717436E-03  1.1213252102681E-13
   556  5.5500000000000E+00  1.5724882097584E-03  1.5725528159898E-03  1.0519355151748E-13
   557  5.5600000000000E+00  1.5478208684616E-03  1.5478844702769E-03  9.8684544475082E-14
   558  5.5700000000000E+00  1.5235473723187E-03  1.5236099857897E-03  9.2578820256210E-14
   559  5.5800000000000E+00  1.4996612832602E-03  1.4997229241927E-03  8.6851358330248E-14
   560  5.5900000000000E+00  1.4761562717557E-03  1.4762169556944E-03  8.1478692071812E-14
   561  5.6000000000000E+00  1.4530261149143E-03  1.4530858571472E-03  7.6438811924264E-14
   562  5.6100000000000E+00  1.4302646946207E-03  1.4303235101833E-03  7.1711077385790E-14
   563  5.6200000000000E+00  1.4078659957026E-03  1.4079238993824E-03  6.7276129285098E-14
   564  5.6300000000000E+00  1.3858241041326E-03  1.3858811104733E-03  6.3115810263455E-14
   565  5.6400000000000E+00  1.3641332052640E-03  1.3641893285698E-03  5.9213091314325E-14
   566  5.6500000000000E+00  1.3427875820971E-03  1.3428428364365E-03  5.5552001024237E-14
   567  5.6600000000000E+00  1.3217816135770E-03  1.3218360127870E-03  5.2117559147355E-14
   568  5.6700000000000E+00  1.3011097729228E-03  1.3011633306130E-03  4.8895715356660E-14
   569  5.6800000000000E+00  1.2807666259880E-03  1.2808193555442E-03  4.5873292352499E-14
   570  5.6900000000000E+00  1.2607468296484E-03  1.2607987442365E-03  4.3037930307676E-14
   571  5.7000000000000E+00  1.2410451302203E-03  1.2410962427903E-03  4.0378036033603E-14
   572  5.7100000000000E+00  1.2216563619088E-03  1.2217066851980E-03  3.7882736669097E-14
   573  5.7200000000000E+00  1.2025754452815E-03  1.2026249918184E-03  3.5541833786372E-14
   574  5.7300000000000E+00  1.1837973857709E-03  1.1838461678790E-03  3.3345761416037E-14
   575  5.7400000000000E+00  1.1653172722049E-03  1.1653653020056E-03  3.1285547248226E-14
   576  5.7500000000000E+00  1.1471302753626E-03  1.1471775647790E-03  2.9352775895157E-14
   577  5.7600000000000E+00  1.1292316465558E-03  1.1292782073161E-03  2.7539553693142E-14
   578  5.7700000000000E+00  1.1116167162371E-03  1.1116625598776E-03  2.5838476225809E-14
   579  5.7800000000000E+00  1.0942808926330E-03  1.0943260305018E-03  2.4242598989829E-14
   580  5.7900000000000E+00  1.0772196604011E-03  1.0772641036608E-03  2.2745407797178E-14
   581  5.8000000000000E+00  1.0604285793106E-03  1.0604723389418E-03  2.1340792161421E-14
   582  5.8100000000000E+00  1.0439032829488E-03  1.0439463697531E-03  2.0023020666296E-14
   583  5.8200000000000E+00  1.0276394774495E-03  1.0276819020522E-03  1.8786717332577E-14
   584  5.8300000000000E+00  1.0116329402429E-03  1.0116747130966E-03  1.7626839244911E-14
   585  5.8400000000000E+00  9.9587951883036E-04  9.9592065021728E-04  1.6538655871846E-14
   586  5.8500000000000E+00  9.8037512958024E-04  9.8041562961539E-04  1.5517730311264E-14
   587  5.8600000000000E+00  9.6511575654432E-04  9.6515563517825E-04  1.4559900403655E-14
   588  5.8700000000000E+00  9.5009745029613E-04  9.5013671731770E-04  1.3661261745736E-14
   589  5.8800000000000E+00  9.3531632679071E-04  9.3535499182982E-04  1.2818152018119E-14
   590  5.8900000000000E+00  9.2076856624385E-04  9.2080663877410E-04  1.2027135864923E-14
   591  5.9000000000000E+00  9.0645041203125E-04  9.0648790137258E-04  1.1284990624843E-14
   592  5.9100000000000E+00  8.9235816960761E-04  8.9239508492884E-04  1.0588693118289E-14
   593  5.9200000000000E+00  8.7848820544596E-04  8.7852455576738E-04  9.9354077278261E-15
   594  5.9300000000000E+00  8.6483694599395E-04  8.6487274018978E-04  9.3224742992255E-15
   595  5.9400000000000E+00  8.5140087664981E-04  8.5143612345064E-04  8.7473973126588E-15
   596  5.9500000000000E+00  8.3817654075692E-04  8.3821124875213E-04  8.2078358623695E-15
   597  5.9600000000000E+00  8.2516053861564E-04  8.2519471625576E-04  7.7015940517998E-15
   598  5.9700000000000E+00  8.1234952651246E-04  8.1238318211151E-04  7.2266118505572E-15
   599  5.9800000000000E+00  7.9974021576661E-04  7.9977335750432E-04  6.7809566340018E-15
   600  5.9900000000000E+00  7.8732937179462E-04  7.8736200771875E-04  6.3628156332270E-15
<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
  P 15.00    3    2       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
    3    0    2.00
    3    1    3.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    2
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.80000   0.00000    4    8   5.90000
    1   1.80000   0.00000    5    9   8.50000
    2   1.90000   0.05000    4    8   7.40000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.42292      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   2.00000
    1    2   2.00000
    2    2   2.00000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    3   5.00000   1.10000
#
# 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):  13 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  17 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.42 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.37 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>