!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! #info ./psgen ncpp 21:51:23 oct 11 2026 dani fhi pseudopotential tool fhipp - version rev270603B chemical symbol Ta nuclear charge 73.00 total charge 0.00 number of core states 12 number of valence states 2 exchange-correlation model 6 GGA Perdew/Burke/Ernzerhof scalar-relativistic mode parameters radial mesh 563 1.024700 0.856164E-04 !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!! 6 0.00 ! iexc , exmix 2 ! nshells 1 2 ! L values 5.00000 ! Z val 1.51212764 ! alpha 2.79 ! Rcutoff 648 0.0000000E+00 156.5408 4.0885308E-03 156.8932 8.1770616E-03 157.2498 1.2265592E-02 157.8274 1.6354123E-02 158.1392 2.0442653E-02 156.2795 2.4531184E-02 149.0648 2.8619714E-02 137.0367 3.2708246E-02 129.8673 3.6796775E-02 135.4015 4.0885307E-02 147.3237 4.4973835E-02 156.2922 4.9062368E-02 160.0754 5.3150900E-02 160.5751 5.7239428E-02 159.7697 6.1327960E-02 158.6990 6.5416493E-02 157.7408 6.9505021E-02 156.9727 7.3593549E-02 156.3689 7.7682078E-02 155.8841 8.1770614E-02 155.4783 8.5859142E-02 155.1216 8.9947671E-02 154.7946 9.4036207E-02 154.4848 9.8124735E-02 154.1833 0.1022133 153.8855 0.1063018 153.5878 0.1103903 153.2885 0.1144789 152.9866 0.1185674 152.6810 0.1226559 152.3719 0.1267444 152.0587 0.1308330 151.7420 0.1349215 151.4219 0.1390100 151.0987 0.1430986 150.7714 0.1471871 150.4382 0.1512756 150.0942 0.1553642 149.7359 0.1594527 149.3652 0.1635412 148.9908 0.1676297 148.6179 0.1717183 148.2442 0.1758068 147.8664 0.1798953 147.4833 0.1839839 147.0947 0.1880724 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