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Last active January 13, 2024 22:48
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CIF for ASE from CrystalMaker
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ase_cif.md

Fix ASE problem for reading CIF

Insert the following lines to avoid error in reading CIF from ASE when you make a cif file from CrystalMaker.

_symmetry_space_group_name_H-M    "P 1"
_symmetry_int_tables_number       1

Space group number can be found in: https://en.wikipedia.org/wiki/List_of_space_groups

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