1.ATOM Pu1 19 CORE STATES :1S 001: 1S -8973.786317620 Ry :2S 001: 2S -1688.972990298 Ry :2PP001: 2P* -1629.129453483 Ry :2P 001: 2P -1315.650088591 Ry :3S 001: 3S -428.695261213 Ry :3PP001: 3P* -401.608822704 Ry :3P 001: 3P -328.958339626 Ry :3DD001: 3D* -286.666363113 Ry :3D 001: 3D -272.118006613 Ry :4S 001: 4S -110.010471669 Ry :4PP001: 4P* -97.749603045 Ry :4P 001: 4P -78.600455807 Ry :4DD001: 4D* -59.259682995 Ry :4D 001: 4D -55.765113221 Ry :5S 001: 5S -24.000388149 Ry :5PP001: 5P* -19.168003403 Ry :5P 001: 5P -14.510295591 Ry :4FF001: 4F* -30.323026985 Ry :4F 001: 4F -29.395098235 Ry 2.ATOM Co1 4 CORE STATES :1S 002: 1S -556.786211860 Ry :2S 002: 2S -64.872631238 Ry :2PP002: 2P* -56.119396762 Ry :2P 002: 2P -55.029743378 Ry 3.ATOM Ga1 5 CORE STATES :1S 003: 1S -750.716921100 Ry :2S 003: 2S -91.773783829 Ry :2PP003: 2P* -81.128092544 Ry :2P 003: 2P -79.095399915 Ry :3S 003: 3S -9.907927874 Ry 4.ATOM Ga2 5 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO004: 4.ATOM 89.948 0.000 0.000 89.948 :1S 004: 1S -750.731846724 Ry :2S 004: 2S -91.788734198 Ry :2PP004: 2P* -81.143013584 Ry :2P 004: 2P -79.110324076 Ry :3S 004: 3S -9.923831876 Ry