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dft_tools/doc/Ce-gamma.struct
2013-08-07 16:40:18 +02:00

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Title
F LATTICE,NONEQUIV.ATOMS: 1225_Fm-3m
MODE OF CALC=RELA unit=bohr
9.750000 9.750000 9.750000 90.000000 90.000000 90.000000
ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000
MULT= 1 ISPLIT= 2
Ce NPT= 781 R0=0.00010000 RMT= 2.0000 Z: 58.0
LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
0.0000000 1.0000000 0.0000000
0.0000000 0.0000000 1.0000000
0 NUMBER OF SYMMETRY OPERATIONS