Hi Thomas,
I am using indeed 6.2 compiled with the new xml, I should have checked the
bugs first... since it is on the cluster I cannot re-compile but I will
forward the information to the cluster people!
Thank you for bringing this to my attention, this is *really* good to know!
Best,
Chris
On
Dear Christoph,
which version of QE are you using? Was it compiled with the old XML
format or the new one?
The new XML format had a bug in the way the input related to the dipole
correction was saved.
This was solved about a month ago:
https://gitlab.com/QEF/q-e/commit/81a946e15b80972f629c88e
Dear all,
I am (again...) fighting with the dipole correction. I have a system
consisting of Ag and MgO centered in the cell around z=0.5
ATOMIC_POSITIONS (crystal)
Ag 0.0 0.0 0.323271580
Ag 0.0 0.5 0.385512833
Mg -0.0 0.
