CrystalData

The remaining instructions of this part are recognized through the respective headings. Their order is indifferent. If one instruction contains more than one item, these must be separated by blanks.


keywords


CELL

LATTICE

SYMMETRY

CONTENT


All this keywords are shown in the next dialog of XLENSG program



Main differences between XLENS and XLENSG are:


Cell Content: In XLENSG the user write the Element symbol following by the total number of atoms of these species you have in the unit cell. Between different species you need introduce a blank character.


Symmetry information: In XLENSG program the user can select pass the information from the Hermamn-Mauguin symbol (Space group option) or introducing directly the information about lattice, symmetry operators and centrosymetric case if the user select User define option.




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