How to achieve element replacement through "dpgen simplify" #1482
Unanswered
h757062840
asked this question in
Q&A
Replies: 1 comment
-
|
I don't think |
Beta Was this translation helpful? Give feedback.
0 replies
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
-
I have a Cu-C-O dataset and would like to replace the Cu element with Au using dpgen simplify. What should I do? Directly replaces the pseudopotentias in FP step? Or make adjustments to "type_map"?
The example of the tutorial is only used for fine-tuning input parameters and does not involve thie replacement of element.
Beta Was this translation helpful? Give feedback.
All reactions