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convertcrystal [2015/05/12 11:37] – mackeconvertcrystal [2015/05/12 11:43] – macke
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-The tool ''convertcrystal'' is part of the QUAD package and converts crystal files in the format .xyz to an output that is usable for QUAD.+The tool ''convertcrystal'' is part of the QUAD package and converts crystal files in the format [[http://en.wikipedia.org/wiki/XYZ_file_format|XYZ]] to an output that is usable for QUAD.
 The standard crystal structure .cif files can be usually exported to a .xyz file by using software tools like "Diamond" or "Vesta". The standard crystal structure .cif files can be usually exported to a .xyz file by using software tools like "Diamond" or "Vesta".
 ''convertcrystal'' executes a script file which can contain following commands line by line. ''convertcrystal'' executes a script file which can contain following commands line by line.

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