If we have Diag.KProcGroups set to give k-point parallelism then the output of wavefunction coefficients for pDOS and band-resolved densities does not work (some coefficients are not written out).
A simple, short-term fix would be to remove k-point parallelism if wavefunction coefficient output is set; it would be hard to enable output with k-point parallelism because of file access issues.
If we have
Diag.KProcGroupsset to give k-point parallelism then the output of wavefunction coefficients for pDOS and band-resolved densities does not work (some coefficients are not written out).A simple, short-term fix would be to remove k-point parallelism if wavefunction coefficient output is set; it would be hard to enable output with k-point parallelism because of file access issues.