7.3 Molecular crystals
Here we have 2 utilities:
MOL precheck — the utility allows you to check MOL_1 files before running USPEX for molecular crystals (calculationType=310/311/110).
Zmatrix — the utility converts XYZ file to USPEX MOL_1 file.
Here we have 2 utilities:
MOL precheck — the utility allows you to check MOL_1 files before running USPEX for molecular crystals (calculationType=310/311/110).
Zmatrix — the utility converts XYZ file to USPEX MOL_1 file.