[QE-users] Getting wavefunctions from QE

Andrew Xu andrewaccount at gmail.com
Thu Sep 17 08:31:37 CEST 2020


Dear users,

I'm trying to extract the wavefunctions in QE after running pw.x,
preferably in non-binary format. In versions less than 6, these two links
give me what I want (
https://pw-forum.pwscf.narkive.com/UnDfSmzu/how-to-use-the-wave-functions,
https://lists.quantum-espresso.org/pipermail/users/2011-June/020897.html);
how can I do a similar thing for QE version 6?

In particular (I'm using QE 6.3), I noticed the QExml_example in
~espresso/PP/ is missing in QE version 6, and when I do make qexml.x in
~espresso/PP/, I get errors. There's a qexml.f90 in Modules, but doing make
qexml.f90, make qexml.o, make qexml_module.mod don't do anything.

Best,
Andy
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