bastonero
commented
3 months ago @mbercx very simple PR, but recently I was so annoyed by the fact I could not distinguish wether the PH code was stoppiing due to this error or due to some scheduler issues.
As written in the PR, these errors don't have a straight solution if not rerunning pw.x with e.g. ibrav or more relaxed positions/cell. So I put them in the 300s range.
Fixes #1001
Some symmetry errors that ph.x can stop with are added. They are related to how the PHonon code handles internally symmetry, which unfortunately is slightly different from the PW code, which is used as a necessary previous step to run ph.x. This is generally due to some interal hard-coded thresholds. The solution is generally to run pw.x by specifying the ibrav, instead of the general ibrav=0. This cannot be handled though, as it would require to re-run the pw.x code.