an issue with "BandStructureComputeProjections = yes"

Dear all,

The code seems to crash when running "CalculationMode = unocc" with "BandStructureComputeProjections = yes" for a large, extended system with 84 orbitals.

Octopus can converge the band structure calculations but stops when printing out the bandstructure file. The code only created the file, but then terminated without printing anything inside. However, if I turned off BandStructureComputeProjections without printing the projection, it could print out the band structure (without the weighting for those projections).

Also, is there a way in Octopus that allows me to print out a selected energy window without the deep-level bands so that I can reduce the file size?

Are there any quick workaround methods that I could get those bandstructure projections?

Please see the attached file for details: inp

Thanks, I-Te