[QE-users] from pw_readfile : error # 1, error opening xml data file (too heavy task)

Maxim Arsentev arsentev at isc.nw.ru
Thu Oct 3 22:52:54 CEST 2019


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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