GitLab

Incorrect handling in mixer lead to NaNs in distances

Due to the missing initialization the Fe_1lXML test sometimes failed

This reverts commit f5fe58e8.

The error message also prints out labels of overlapped
atoms (one of the labels) and the overlapping value.
The error message makes AiiDA-FLEUR to conviniently
parse this info and automatically adjust MT radii
for another try of relaxation.

In a parallelized calculation this array might not be present on all processes