1.ATOM Cu 5 CORE STATES :1S 001: 1S -649.525031856 Ry :2S 001: 2S -77.225897886 Ry :2PP001: 2P* -67.542139651 Ry :2P 001: 2P -66.035966905 Ry :3S 001: 3S -7.577045026 Ry 2.ATOM La 14 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO002: 2.ATOM 480.187 0.000 0.000 480.187 :1S 002: 1S -2844.582384108 Ry :2S 002: 2S -451.568011648 Ry :2PP002: 2P* -425.782114384 Ry :2P 002: 2P -395.416839813 Ry :3S 002: 3S -95.573403944 Ry :3PP002: 3P* -84.707418287 Ry :3P 002: 3P -78.788938537 Ry :3DD002: 3D* -59.767119168 Ry :3D 002: 3D -58.500964418 Ry :4S 002: 4S -18.278049490 Ry :4PP002: 4P* -14.281099290 Ry :4P 002: 4P -13.023169574 Ry :4DD002: 4D* -6.474383575 Ry :4D 002: 4D -6.256209523 Ry 3.ATOM O 1 CORE STATES :1S 003: 1S -36.446365485 Ry 4.ATOM O 1 CORE STATES CORE-FORCE in mRy/a.u. = |F| Fx Fy Fz :FCO004: 4.ATOM 2.389 0.000 0.000 -2.389 :1S 004: 1S -36.423491963 Ry