Comments (1)
I did not know that. It seems that PyXtal or pymatgen can not treat Bk element.
If you really need to deal with Bk, you have to make your own script to replace it after structure generation.
(eg. Si --> Bk in job_cryspy)
Thank you for your report.
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Related Issues (12)
- How to create the executable file of find_wy after installing the find_wy? HOT 4
- How to calculate RMSE for a predicted a structure and a true structure? HOT 4
- empty POTCAR
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- I encounted the error when i use the cryspy with QE6.8 HOT 8
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- Initial structures HOT 1
- OSError: [Errno 8] Exec format error HOT 2
- The QE input is formatted incorrectly HOT 5
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