Comments (1)
philipturner
commented on June 2, 2024
It seems like this was a false alarm; FE basis sets are just as unnecessarily complex as PW basis sets. The core reason why so much effort must be put into porting the codebase; the code is too complex. I can make something drastically simpler using FD, even if it’s inherently 2x slower from not being variational. Being able to use massive GPU parallelism at all, because it could be built from scratch in a reasonable time, more than cancels the 2x overhead.
Closing this issue for now.
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