[QE-users] pp.x caused an error when treating hdf5 files

Pietro Davide Delugas pdelugas at sissa.it
Tue Jun 18 17:22:34 CEST 2024


Dear Halsten
The type of file where charge density is saved does not depend on its size but on how pw.x has been compiled.

I assume that you are using two different executables. Are these both 7.3.1 versions?

The error occurs when reading the XML file, and in rare cases, the different versions may be incompatible.
If you send me the XML file ( it is called data-file-schema.xml and is inside the .save directory ), I will try to understand
the issue.

Thanks and best regards
Pietro

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