Dear Quantum ESPRESSO users and developers,
When running my input with fhi pseudos from espresso database I got this
error
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
task # 0
from pw_readfile : error # 1
error opening xml data file
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
Do I have too many waves for my computer (reduce cutoff)? How to make
this task converged?
I attach the files
https://cloud.mail.ru/public/2Dzt/5rjkGS12j
Thank you
Maxim Arsent'ev, Ph.D. (Chemistry)
Laboratory of research of nanostructures
Institute of Silicate Chemistry of RAS
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