1&GLOBAL 2 PROJECT Th 3 PROGRAM_NAME ATOM 4&END GLOBAL 5&ATOM 6 ELEMENT Th 7 ELECTRON_CONFIGURATION [Rn] 6d2 7s2 8 &METHOD 9 METHOD_TYPE KOHN-SHAM 10 &XC 11 &XC_FUNCTIONAL PBE 12 &END XC_FUNCTIONAL 13 &END XC 14 &END METHOD 15&END ATOM 16