It's a known problem and has been explained more than once here. If you
want to use symmetry, it is safe to explicitly specify the Bravais lattice
(with the correct "ibrav") and exactly symmetric atomic positions, or
better, space group and Wyckoff positions. You may still provide lattice
vectors a
On Sun, Oct 11, 2020 at 12:10 PM Naharin Jannath <
naharin.jannath...@gmail.com> wrote:
> I am shown this error when i'm trying for bands.x calculation
> [...]
> Bands input file
>
does not look like an input file for bands.x
Paolo
--
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fi
Hi..
I have a problem, that is I am shown this error when i'm trying for bands.x
calculation for bands_pp file in quantum espresso.. it says -
"Wrong classes for D_3d"
What can i do now? someone said ' it is due to the inconsistency in the
symmetry tolerance in QE. The suggestion is to try to mak
