Closed bastonero closed 3 months ago
Update: there is the hope that if one uses the respective ibrav
, instead of ibrav=0
+ CELL_PARAMETERS
, that this issue disappear. This is due to how symmetry and Co. is handled in QE.
An other error of the same family:
%%%%%%%%%%%%%%%%%%%%%%%
Error in routine set_irr_sym_new (311):
wrong representation
%%%%%%%%%%%%%%%%%%%%%%%
The following error has not a dedicated exit code:
It would be more informative to have an exit code specific to this error, although unrecoverable (FFT must be changed, i.e. the cutoff of a previous pw.x calculation).