CONTENT

CONTENT

Z1   N1

Z2   N2

...


Z1 and N1 are, respectively, the atomic number and the total number of atoms of type 1 in the unit cell, the same for type 2, etc. (maximum of 7 different atomic types).


For the special case of neutrons, enter Z = -1 for deuterium and Z= -5 for boron 11.


Important: The atomic type should be introduced in decreasing order of scattering power, i.e. heavy atoms before light ones. This data are used by the program to compute the internal NCELL parameter, i.e. the total number of atoms in the unit cell excluding H atoms.

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