!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:13 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Rb nuclear charge 37.00 total charge 0.00 number of core states 8 number of valence states 1 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 535 1.024700 0.168919E-03 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 1 ! nshells 1 ! L values 1.00000 ! Z val 1.02284300 ! alpha 3.39 ! Rcutoff 961 0.0000000E+00 32.93611 4.0736129E-03 32.95033 8.1472257E-03 32.96378 1.2220839E-02 32.98411 1.6294451E-02 33.01009 2.0368066E-02 33.04037 2.4441678E-02 33.07428 2.8515292E-02 33.11108 3.2588903E-02 33.14961 3.6662519E-02 33.18870 4.0736131E-02 33.22723 4.4809744E-02 33.26427 4.8883356E-02 33.29808 5.2956969E-02 33.32784 5.7030585E-02 33.35250 6.1104197E-02 33.37086 6.5177806E-02 33.38205 6.9251426E-02 33.38511 7.3325038E-02 33.37933 7.7398650E-02 33.36424 8.1472263E-02 33.33921 8.5545875E-02 33.30398 8.9619488E-02 33.25848 9.3693100E-02 33.20267 9.7766712E-02 33.13673 0.1018403 33.06094 0.1059139 32.97588 0.1099875 32.88192 0.1140612 32.77985 0.1181348 32.67035 0.1222084 32.55423 0.1262820 32.43239 0.1303556 32.30562 0.1344292 32.17481 0.1385029 32.04078 0.1425765 31.90442 0.1466501 31.76657 0.1507237 31.62814 0.1547973 31.48992 0.1588709 31.35272 0.1629445 31.21725 0.1670181 31.08407 0.1710918 30.95374 0.1751654 30.82670 0.1792390 30.70333 0.1833126 30.58390 0.1873862 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