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* restructuring * added user reference * started working on user guide * added schematic to structure
12 lines
679 B
Plaintext
12 lines
679 B
Plaintext
Title
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F LATTICE,NONEQUIV.ATOMS: 1225_Fm-3m
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MODE OF CALC=RELA unit=bohr
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9.750000 9.750000 9.750000 90.000000 90.000000 90.000000
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ATOM 1: X=0.00000000 Y=0.00000000 Z=0.00000000
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MULT= 1 ISPLIT= 2
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Ce NPT= 781 R0=0.00001000 RMT= 2.5000 Z: 58.0
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LOCAL ROT MATRIX: 1.0000000 0.0000000 0.0000000
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0.0000000 1.0000000 0.0000000
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0.0000000 0.0000000 1.0000000
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0 NUMBER OF SYMMETRY OPERATIONS
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