[QE-users] Quantum ESPRESSO v.6.4.1
Lorenzo Paulatto
paulatz at gmail.com
Tue Apr 9 09:34:38 CEST 2019
> * A warning is issued if ibrav=0 is used for systems having symmetry.
> If not properly done this may lead to strange problems with symmetry
> detection and symmetrization. Lattice information should be used if
> available.
Also, you can use the "cell2ibrav.x" and "scan_ibrav.py" codes from
PW/tools to find ibrav from simple cell coordinates (they do not work if
the cell has been rotated, but I'm working on that)
thank you Paolo
--
Lorenzo Paulatto - IMPMC/CNRS/SU Paris
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