[QE-users] Need a script that can convert primitive cell file file using conventional cell cif file

[rekha sharma]

Dear Expert Users,

It is possible that this question has been answered many times before but I
could not find it on the forum.

I have few complex structures and it is not possible to handle on my system
in the conventional form.

Can you please advise any tool that can help me to convert a conventional
cell cif file to a primitive cell file?

I have tried with VEST (niggli cell reduction) but it does not work for me.

Thank you very much.
Rekha
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://lists.quantum-espresso.org/pipermail/users/attachments/20200716/a33b5eb8/attachment.html>