Dear developers,
I recently cloned developer version from https://github.com/QEF/q-e .
I found that the generated files in tmp folder by this developer version is different from 6.1 version.
1. K00xxx folders are replaced by wfcxx.dat files.
2. more importantly, "data-file.xml" is replaced by "data-file-schema.xml"
I used to extract information from "data-file.xml" for data postprocessing. But now the organization and most of the tag names are very different in "data-file-schema.xml". What is more, information in new "data-file-schema.xml" are not as complete as that in "data-file.xml". For example, in old "data-file.xml", the unit of reciprocal_lattice_vectors is specified in tag as "2 Pi /a" which is very clear, but there is no such info in new "data-file-schema.xml".
So why change the xml structure? And I want to know if data-file.xml will be replaced by data-file-schema.xml in future released version? If so, of I think "data-file-schema.xml" may need some elaboration.
best regards!
_______________________________________________ Pw_forum mailing list [email protected] http://pwscf.org/mailman/listinfo/pw_forum
