Te Te 52 6.00000000000 127.600000000 23.1216080840 2 5 3 7 true =============================================================================== Te Z= 52 Mass= 127.60 Charge= 0.17977+309 Lmxo=1 Lmxkb= 3 BasisType=split Semic=F L=0 Nsemic=0 Cnfigmx=5 i=1 nzeta=2 polorb=0 (5s) splnorm: 0.15000 vcte: 0.0000 rinn: 0.0000 qcoe: 0.0000 qyuk: 0.0000 qwid: 0.10000E-01 rcs: 6.1950 4.2049 lambdas: 1.0000 1.0000 L=1 Nsemic=0 Cnfigmx=5 i=1 nzeta=2 polorb=1 (5p) splnorm: 0.15000 vcte: 0.0000 rinn: 0.0000 qcoe: 0.0000 qyuk: 0.0000 qwid: 0.10000E-01 rcs: 8.1560 5.0091 lambdas: 1.0000 1.0000 ------------------------------------------------------------------------------- L=0 Nkbl=1 erefs: 0.17977+309 L=1 Nkbl=1 erefs: 0.17977+309 L=2 Nkbl=1 erefs: 0.17977+309 L=3 Nkbl=1 erefs: 0.17977+309 =============================================================================== Te pb rel nc ATM4.2.7 24-JAN-23 Troullier-Martins 5s 2.00r r= 2.58/5p 4.00r r= 2.82/5d 0.00r r= 2.82/4f 0.00r r= 2.49/ 500 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