ERROR output in example Ca2Al2SiO7

orex / supercell

The program allows you to create regular structure supercell from cif file with partial occupancy and/or substitutions.

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ERROR output in example Ca2Al2SiO7 #24

Closed hlyang1992 closed 5 years ago

hlyang1992 commented 5 years ago

I run supercell using file(https://github.com/orex/supercell/blob/master/data/examples/Ca2Al2SiO7/Ca2Al2SiO7.cif) with command:

supercell -d -i Ca2Al2SiO7.cif -m

However, I got error output,

ERROR: Label AlT2 belong to 2 or more groups.

orex commented 5 years ago

Hello! Please fill the form below: 1) The version of OS your are using: Windows, MacOS or Linux. 2) Which supercell code? Compiled from site or self-compiled. 3) Full output of supercell program.

orex commented 5 years ago

Closed due to inactivity.