When trying to create .json files from a QE structure with ibrav = -5, I got the error message "ibrav = -5 is not implemented". I solved this issue by implementing ibrav = -5 in pw.py file. This pull request is to update your repository with this new option implemented so that new users who clone your repository get the new function.
henriquemiranda
commented
1 year ago
When trying to create .json files from a QE structure with ibrav = -5, I got the error message "ibrav = -5 is not implemented". I solved this issue by implementing ibrav = -5 in pw.py file. This pull request is to update your repository with this new option implemented so that new users who clone your repository get the new function.