10_Ne_8_1.4_1.8_pbe_v1.0.psp8

Ne    ONCVPSP-4.0.1  r_core=   1.40189   1.80230
     10.0000      8.0000      220124    zatom,zion,pspd
     8      11   1     4   400     0    pspcod,pspxc,lmax,lloc,mmax,r2well
  3.99000000  0.00000000  0.00000000    rchrg fchrg qchrg
     2     2     0     0     0    nproj
     1     1           extension_switch
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   226  2.2500  0.  0.
   227  2.2600  0.  0.
   228  2.2700  0.  0.
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   230  2.2900  0.  0.
   231  2.3000  0.  0.
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   233  2.3200  0.  0.
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   235  2.3400  0.  0.
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   243  2.4200  0.  0.
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   252  2.5100  0.  0.
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   254  2.5300  0.  0.
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   256  2.5500  0.  0.
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   258  2.5700  0.  0.
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   260  2.5900  0.  0.
   261  2.6000  0.  0.
   262  2.6100  0.  0.
   263  2.6200  0.  0.
   264  2.6300  0.  0.
   265  2.6400  0.  0.
   266  2.6500  0.  0.
   267  2.6600  0.  0.
   268  2.6700  0.  0.
   269  2.6800  0.  0.
   270  2.6900  0.  0.
   271  2.7000  0.  0.
   272  2.7100  0.  0.
   273  2.7200  0.  0.
   274  2.7300  0.  0.
   275  2.7400  0.  0.
   276  2.7500  0.  0.
   277  2.7600  0.  0.
   278  2.7700  0.  0.
   279  2.7800  0.  0.
   280  2.7900  0.  0.
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   282  2.8100  0.  0.
   283  2.8200  0.  0.
   284  2.8300  0.  0.
   285  2.8400  0.  0.
   286  2.8500  0.  0.
   287  2.8600  0.  0.
   288  2.8700  0.  0.
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   290  2.8900  0.  0.
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   294  2.9300  0.  0.
   295  2.9400  0.  0.
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   297  2.9600  0.  0.
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   299  2.9800  0.  0.
   300  2.9900  0.  0.
   301  3.0000  0.  0.
   302  3.0100  0.  0.
   303  3.0200  0.  0.
   304  3.0300  0.  0.
   305  3.0400  0.  0.
   306  3.0500  0.  0.
   307  3.0600  0.  0.
   308  3.0700  0.  0.
   309  3.0800  0.  0.
   310  3.0900  0.  0.
   311  3.1000  0.  0.
   312  3.1100  0.  0.
   313  3.1200  0.  0.
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   315  3.1400  0.  0.
   316  3.1500  0.  0.
   317  3.1600  0.  0.
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   319  3.1800  0.  0.
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   323  3.2200  0.  0.
   324  3.2300  0.  0.
   325  3.2400  0.  0.
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   335  3.3400  0.  0.
   336  3.3500  0.  0.
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   338  3.3700  0.  0.
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   340  3.3900  0.  0.
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   344  3.4300  0.  0.
   345  3.4400  0.  0.
   346  3.4500  0.  0.
   347  3.4600  0.  0.
   348  3.4700  0.  0.
   349  3.4800  0.  0.
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   4
     1  0.0000000000000E+00 -1.2655161683387E+01
     2  1.0000000000000E-02 -1.2656784336973E+01
     3  2.0000000000000E-02 -1.2661297702269E+01
     4  3.0000000000000E-02 -1.2667729705528E+01
     5  4.0000000000000E-02 -1.2674726728107E+01
     6  5.0000000000000E-02 -1.2680844347876E+01
     7  6.0000000000000E-02 -1.2684798775491E+01
     8  7.0000000000000E-02 -1.2685622535653E+01
     9  8.0000000000000E-02 -1.2682715910098E+01
    10  9.0000000000000E-02 -1.2675819077414E+01
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    71  7.0000000000000E-01 -9.7487600510064E+00
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    73  7.2000000000000E-01 -9.6095947942655E+00
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    81  8.0000000000000E-01 -9.0545038534394E+00
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   101  1.0000000000000E+00 -7.7433207009096E+00
   102  1.0100000000000E+00 -7.6822808745485E+00
   103  1.0200000000000E+00 -7.6217455508518E+00
   104  1.0300000000000E+00 -7.5617205161648E+00
   105  1.0400000000000E+00 -7.5022109064483E+00
   106  1.0500000000000E+00 -7.4432212405986E+00
   107  1.0600000000000E+00 -7.3847554563364E+00
   108  1.0700000000000E+00 -7.3268169483735E+00
   109  1.0800000000000E+00 -7.2694086083686E+00
   110  1.0900000000000E+00 -7.2125328662421E+00
   111  1.1000000000000E+00 -7.1561917322415E+00
   112  1.1100000000000E+00 -7.1003868392176E+00
   113  1.1200000000000E+00 -7.0451194844440E+00
   114  1.1300000000000E+00 -6.9903906703393E+00
   115  1.1400000000000E+00 -6.9362011434493E+00
   116  1.1500000000000E+00 -6.8825514309958E+00
   117  1.1600000000000E+00 -6.8294418744187E+00
   118  1.1700000000000E+00 -6.7768726592544E+00
   119  1.1800000000000E+00 -6.7248438408729E+00
   120  1.1900000000000E+00 -6.6733553655496E+00
   121  1.2000000000000E+00 -6.6224070864960E+00
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   123  1.2200000000000E+00 -6.5221301232123E+00
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   147  1.4600000000000E+00 -5.4832119003399E+00
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   150  1.4900000000000E+00 -5.3732157915914E+00
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   154  1.5300000000000E+00 -5.2326048371527E+00
   155  1.5400000000000E+00 -5.1984986842025E+00
   156  1.5500000000000E+00 -5.1648020591174E+00
   157  1.5600000000000E+00 -5.1315108336734E+00
   158  1.5700000000000E+00 -5.0986211209677E+00
   159  1.5800000000000E+00 -5.0661292662056E+00
   160  1.5900000000000E+00 -5.0340318298991E+00
   161  1.6000000000000E+00 -5.0023255622454E+00
   162  1.6100000000000E+00 -4.9710073677083E+00
   163  1.6200000000000E+00 -4.9400742592071E+00
   164  1.6300000000000E+00 -4.9095233017536E+00
   165  1.6400000000000E+00 -4.8793515459105E+00
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   167  1.6600000000000E+00 -4.8201333067465E+00
   168  1.6700000000000E+00 -4.7910801341911E+00
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   170  1.6900000000000E+00 -4.7340664414577E+00
   171  1.7000000000000E+00 -4.7060968385022E+00
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   177  1.7600000000000E+00 -4.5454140447255E+00
   178  1.7700000000000E+00 -4.5197485055946E+00
   179  1.7800000000000E+00 -4.4943760081739E+00
   180  1.7900000000000E+00 -4.4692855345222E+00
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   182  1.8100000000000E+00 -4.4199115091967E+00
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   185  1.8400000000000E+00 -4.3478464597252E+00
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   187  1.8600000000000E+00 -4.3010948776692E+00
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   254  2.5300000000000E+00  4.3335267624554E-02  4.3340869077033E-02  0.0000000000000E+00
   255  2.5400000000000E+00  4.2132877430797E-02  4.2138324275805E-02  0.0000000000000E+00
   256  2.5500000000000E+00  4.0965360627963E-02  4.0970657351216E-02  0.0000000000000E+00
   257  2.5600000000000E+00  3.9831654199036E-02  3.9836805148700E-02  0.0000000000000E+00
   258  2.5700000000000E+00  3.8730729258696E-02  3.8735738649859E-02  0.0000000000000E+00
   259  2.5800000000000E+00  3.7661589901263E-02  3.7666461820254E-02  0.0000000000000E+00
   260  2.5900000000000E+00  3.6623272089303E-02  3.6628010497860E-02  0.0000000000000E+00
   261  2.6000000000000E+00  3.5614842581398E-02  3.5619451320694E-02  0.0000000000000E+00
   262  2.6100000000000E+00  3.4635397897603E-02  3.4639880692139E-02  0.0000000000000E+00
   263  2.6200000000000E+00  3.3684063321282E-02  3.3688423782638E-02  0.0000000000000E+00
   264  2.6300000000000E+00  3.2759991935953E-02  3.2764233566417E-02  0.0000000000000E+00
   265  2.6400000000000E+00  3.1862363695861E-02  3.1866489891930E-02  0.0000000000000E+00
   266  2.6500000000000E+00  3.0990384529095E-02  3.0994398584864E-02  0.0000000000000E+00
   267  2.6600000000000E+00  3.0143285472022E-02  3.0147190582448E-02  0.0000000000000E+00
   268  2.6700000000000E+00  2.9320321833914E-02  2.9324121097981E-02  0.0000000000000E+00
   269  2.6800000000000E+00  2.8520772390703E-02  2.8524468814470E-02  0.0000000000000E+00
   270  2.6900000000000E+00  2.7743938606755E-02  2.7747535106306E-02  0.0000000000000E+00
   271  2.7000000000000E+00  2.6989143883694E-02  2.6992643287989E-02  0.0000000000000E+00
   272  2.7100000000000E+00  2.6255732835289E-02  2.6259137888919E-02  0.0000000000000E+00
   273  2.7200000000000E+00  2.5543070587439E-02  2.5546383953285E-02  0.0000000000000E+00
   274  2.7300000000000E+00  2.4850542102391E-02  2.4853766364200E-02  0.0000000000000E+00
   275  2.7400000000000E+00  2.4177551526289E-02  2.4180689191160E-02  0.0000000000000E+00
   276  2.7500000000000E+00  2.3523521559216E-02  2.3526575060006E-02  0.0000000000000E+00
   277  2.7600000000000E+00  2.2887892846955E-02  2.2890864544599E-02  0.0000000000000E+00
   278  2.7700000000000E+00  2.2270123393633E-02  2.2273015579396E-02  0.0000000000000E+00
   279  2.7800000000000E+00  2.1669687994557E-02  2.1672502892205E-02  0.0000000000000E+00
   280  2.7900000000000E+00  2.1086077688486E-02  2.1088817456388E-02  0.0000000000000E+00
   281  2.8000000000000E+00  2.0518799228646E-02  2.0521465961803E-02  0.0000000000000E+00
   282  2.8100000000000E+00  1.9967374571842E-02  1.9969970303856E-02  0.0000000000000E+00
   283  2.8200000000000E+00  1.9431340384989E-02  1.9433867089961E-02  0.0000000000000E+00
   284  2.8300000000000E+00  1.8910247568473E-02  1.8912707162841E-02  0.0000000000000E+00
   285  2.8400000000000E+00  1.8403660795725E-02  1.8406055140044E-02  0.0000000000000E+00
   286  2.8500000000000E+00  1.7911158068431E-02  1.7913488969091E-02  0.0000000000000E+00
   287  2.8600000000000E+00  1.7432330286846E-02  1.7434599497738E-02  0.0000000000000E+00
   288  2.8700000000000E+00  1.6966780834644E-02  1.6968990058767E-02  0.0000000000000E+00
   289  2.8800000000000E+00  1.6514125177817E-02  1.6516276068839E-02  0.0000000000000E+00
   290  2.8900000000000E+00  1.6073990477118E-02  1.6076084640880E-02  0.0000000000000E+00
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   297  2.9600000000000E+00  1.3314604409252E-02  1.3316342723194E-02  0.0000000000000E+00
   298  2.9700000000000E+00  1.2962500556225E-02  1.2964193433458E-02  0.0000000000000E+00
   299  2.9800000000000E+00  1.2620030540681E-02  1.2621679216928E-02  0.0000000000000E+00
   300  2.9900000000000E+00  1.2286919814465E-02  1.2288525490271E-02  0.0000000000000E+00
   301  3.0000000000000E+00  1.1962902029937E-02  1.1964465871723E-02  0.0000000000000E+00
   302  3.0100000000000E+00  1.1647718782208E-02  1.1649241923296E-02  0.0000000000000E+00
   303  3.0200000000000E+00  1.1341119359936E-02  1.1342602901530E-02  0.0000000000000E+00
   304  3.0300000000000E+00  1.1042860504319E-02  1.1044305516469E-02  0.0000000000000E+00
   305  3.0400000000000E+00  1.0752706176054E-02  1.0754113698576E-02  0.0000000000000E+00
   306  3.0500000000000E+00  1.0470427329958E-02  1.0471798373339E-02  0.0000000000000E+00
   307  3.0600000000000E+00  1.0195801696991E-02  1.0197137243253E-02  0.0000000000000E+00
   308  3.0700000000000E+00  9.9286135734402E-03  9.9299145769844E-03  0.0000000000000E+00
   309  3.0800000000000E+00  9.6686536169897E-03  9.6699210054141E-03  0.0000000000000E+00
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   311  3.1000000000000E+00  9.1696114661015E-03  9.1708143037907E-03  0.0000000000000E+00
   312  3.1100000000000E+00  8.9301406507684E-03  8.9313125030894E-03  0.0000000000000E+00
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   317  3.1600000000000E+00  7.8260157222193E-03  7.8270446166062E-03  0.0000000000000E+00
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   320  3.1900000000000E+00  7.2320874979568E-03  7.2330394200314E-03  0.0000000000000E+00
   321  3.2000000000000E+00  7.0446014292974E-03  7.0455290414090E-03  0.0000000000000E+00
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   323  3.2200000000000E+00  6.6845030068727E-03  6.6853839100394E-03  0.0000000000000E+00
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   325  3.2400000000000E+00  6.3433337365668E-03  6.3441703632662E-03  0.0000000000000E+00
   326  3.2500000000000E+00  6.1795236156159E-03  6.1803389748065E-03  0.0000000000000E+00
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   328  3.2700000000000E+00  5.8648367994967E-03  5.8656112863366E-03  0.0000000000000E+00
   329  3.2800000000000E+00  5.7137243861113E-03  5.7144792379426E-03  0.0000000000000E+00
   330  3.2900000000000E+00  5.5666144249423E-03  5.5673501564819E-03  0.0000000000000E+00
   331  3.3000000000000E+00  5.4233973080076E-03  5.4241144199450E-03  0.0000000000000E+00
   332  3.3100000000000E+00  5.2839665513041E-03  5.2846655307006E-03  0.0000000000000E+00
   333  3.3200000000000E+00  5.1482187015601E-03  5.1489000222369E-03  0.0000000000000E+00
   334  3.3300000000000E+00  5.0160532458991E-03  5.0167173688133E-03  0.0000000000000E+00
   335  3.3400000000000E+00  4.8873725243512E-03  4.8880198979606E-03  0.0000000000000E+00
   336  3.3500000000000E+00  4.7620816450875E-03  4.7627127057047E-03  0.0000000000000E+00
   337  3.3600000000000E+00  4.6400884023172E-03  4.6407035744528E-03  0.0000000000000E+00
   338  3.3700000000000E+00  4.5213031967305E-03  4.5219028934269E-03  0.0000000000000E+00
   339  3.3800000000000E+00  4.4056389584337E-03  4.4062235815882E-03  0.0000000000000E+00
   340  3.3900000000000E+00  4.2930110722649E-03  4.2935810129434E-03  0.0000000000000E+00
   341  3.4000000000000E+00  4.1833373054414E-03  4.1838929441833E-03  0.0000000000000E+00
   342  3.4100000000000E+00  4.0765377374346E-03  4.0770794445481E-03  0.0000000000000E+00
   343  3.4200000000000E+00  3.9725346920275E-03  3.9730628278768E-03  0.0000000000000E+00
   344  3.4300000000000E+00  3.8712526714558E-03  3.8717675867392E-03  0.0000000000000E+00
   345  3.4400000000000E+00  3.7726182925934E-03  3.7731203286139E-03  0.0000000000000E+00
   346  3.4500000000000E+00  3.6765602250863E-03  3.6770497140138E-03  0.0000000000000E+00
   347  3.4600000000000E+00  3.5830091314034E-03  3.5834863965293E-03  0.0000000000000E+00
   348  3.4700000000000E+00  3.4918976087080E-03  3.4923629646926E-03  0.0000000000000E+00
   349  3.4800000000000E+00  3.4031601325281E-03  3.4036138856406E-03  0.0000000000000E+00
   350  3.4900000000000E+00  3.3167330021285E-03  3.3171754504801E-03  0.0000000000000E+00
   351  3.5000000000000E+00  3.2325542875705E-03  3.2329857213403E-03  0.0000000000000E+00
   352  3.5100000000000E+00  3.1505637783636E-03  3.1509844800190E-03  0.0000000000000E+00
   353  3.5200000000000E+00  3.0707029336991E-03  3.0711131782086E-03  0.0000000000000E+00
   354  3.5300000000000E+00  2.9929148341765E-03  2.9933148892168E-03  0.0000000000000E+00
   355  3.5400000000000E+00  2.9171441350090E-03  2.9175342611666E-03  0.0000000000000E+00
   356  3.5500000000000E+00  2.8433370206322E-03  2.8437174715985E-03  0.0000000000000E+00
   357  3.5600000000000E+00  2.7714411606950E-03  2.7718121834559E-03  0.0000000000000E+00
   358  3.5700000000000E+00  2.7014056673697E-03  2.7017675023902E-03  0.0000000000000E+00
   359  3.5800000000000E+00  2.6331810539537E-03  2.6335339353568E-03  0.0000000000000E+00
   360  3.5900000000000E+00  2.5667191947129E-03  2.5670633504531E-03  0.0000000000000E+00
   361  3.6000000000000E+00  2.5019732859306E-03  2.5023089379635E-03  0.0000000000000E+00
   362  3.6100000000000E+00  2.4388978081271E-03  2.4392251725727E-03  0.0000000000000E+00
   363  3.6200000000000E+00  2.3774484894037E-03  2.3777677767062E-03  0.0000000000000E+00
   364  3.6300000000000E+00  2.3175822698901E-03  2.3178936849727E-03  0.0000000000000E+00
   365  3.6400000000000E+00  2.2592572672423E-03  2.2595610096573E-03  0.0000000000000E+00
   366  3.6500000000000E+00  2.2024327431800E-03  2.2027290072552E-03  0.0000000000000E+00
   367  3.6600000000000E+00  2.1470690710049E-03  2.1473580459857E-03  0.0000000000000E+00
   368  3.6700000000000E+00  2.0931277040986E-03  2.0934095742855E-03  0.0000000000000E+00
   369  3.6800000000000E+00  2.0405711453396E-03  2.0408460902228E-03  0.0000000000000E+00
   370  3.6900000000000E+00  1.9893629174379E-03  1.9896311118271E-03  0.0000000000000E+00
   371  3.7000000000000E+00  1.9394675341366E-03  1.9397291482878E-03  0.0000000000000E+00
   372  3.7100000000000E+00  1.8908504722694E-03  1.8911056720080E-03  0.0000000000000E+00
   373  3.7200000000000E+00  1.8434781446388E-03  1.8437270914790E-03  0.0000000000000E+00
   374  3.7300000000000E+00  1.7973178736907E-03  1.7975607249517E-03  0.0000000000000E+00
   375  3.7400000000000E+00  1.7523378659668E-03  1.7525747748858E-03  0.0000000000000E+00
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   377  3.7600000000000E+00  1.6657957387382E-03  1.6660212069024E-03  0.0000000000000E+00
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   379  3.7800000000000E+00  1.5836141726769E-03  1.5838287667368E-03  0.0000000000000E+00
   380  3.7900000000000E+00  1.5440878264103E-03  1.5442971868196E-03  0.0000000000000E+00
   381  3.8000000000000E+00  1.5055682093038E-03  1.5057724670079E-03  0.0000000000000E+00
   382  3.8100000000000E+00  1.4680290612580E-03  1.4682283438273E-03  0.0000000000000E+00
   383  3.8200000000000E+00  1.4314448269878E-03  1.4316392587073E-03  0.0000000000000E+00
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   385  3.8400000000000E+00  1.3610422858075E-03  1.3612273759774E-03  0.0000000000000E+00
   386  3.8500000000000E+00  1.3271762190135E-03  1.3273568123414E-03  0.0000000000000E+00
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   388  3.8700000000000E+00  1.2619998444657E-03  1.2621717772266E-03  0.0000000000000E+00
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   390  3.8900000000000E+00  1.2000853510372E-03  1.2002490486257E-03  0.0000000000000E+00
   391  3.9000000000000E+00  1.1702988076720E-03  1.1704585404390E-03  0.0000000000000E+00
   392  3.9100000000000E+00  1.1412658460489E-03  1.1414217123758E-03  0.0000000000000E+00
   393  3.9200000000000E+00  1.1129669702852E-03  1.1131190660425E-03  0.0000000000000E+00
   394  3.9300000000000E+00  1.0853832024479E-03  1.0855316210613E-03  0.0000000000000E+00
   395  3.9400000000000E+00  1.0584960683507E-03  1.0586409008655E-03  0.0000000000000E+00
   396  3.9500000000000E+00  1.0322875837497E-03  1.0324289188939E-03  0.0000000000000E+00
   397  3.9600000000000E+00  1.0067402409354E-03  1.0068781651800E-03  0.0000000000000E+00
   398  3.9700000000000E+00  9.8183699570558E-04  9.8197159332412E-04  0.0000000000000E+00
   399  3.9800000000000E+00  9.5756125470433E-04  9.5769260783061E-04  0.0000000000000E+00
   400  3.9900000000000E+00  9.3389686312691E-04  9.3402505181093E-04  0.0000000000000E+00
<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
  Ne 10.00    1    2       4      psp8
#
#   n    l    f
    1    0    2.00
    2    0    2.00
    2    1    6.00
#
# PSEUDOPOTENTIAL AND OPTIMIZATION
# lmax
    1
#
#   l,   rc,      ep,       ncon, nbas, qcut
    0   1.40000  -1.33786    4    7   8.40000
    1   1.80000  -0.49002    4    9   7.45000
#
# LOCAL POTENTIAL
# lloc, lpopt,  rc(5),   dvloc0
    4    5   1.40000      0.00000
#
# VANDERBILT-KLEINMAN-BYLANDER PROJECTORs
# l, nproj, debl
    0    2   1.50000
    1    2   1.50000
#
# MODEL CORE CHARGE
# icmod, fcfact, rcfact
    0   0.00000   0.00000
#
# LOG DERIVATIVE ANALYSIS
# epsh1, epsh2, depsh
  -12.00   12.00    0.02
#
# OUTPUT GRID
# rlmax, drl
    4.0000    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):  24 Ha                                                            #
# Ecut (1e-4 Ha/atom accuracy):  28 Ha                                                            #
# Mesh size (1e-3 Ha/atom accuracy, 12th order FD):  0.31 Bohr                                    #
# Mesh size (1e-4 Ha/atom accuracy, 12th order FD):  0.29 Bohr                                    #
# These are estimates. Actual spacing should always be determined by refining the mesh            #
# (or equivalently increasing Ecut) until desired error is achieved.                              #
# *********************************************************************************************** #
</INFO>