Dear QE users, I am currently performing XAS calculations for the C-K edge using hse functional. After completing a scf calculation with hse functional, I attempted to perform an xas calculation using xspectra.x. However, I encountered the following error.
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task # 0
from aceinit0 : error # 2
file with ACE potential not found or not readable
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I have confirmed that the ace1.dat file is present in the save directory.
[cid:[email protected]]
I would greatly appreciate any advice or guidance on this matter.
Thank you in advance for your assistance.
Best Regards,
Takahisa Ishiyama
<<attachment: input&log.zip>>
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