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area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustnesspriority: minortime: hourstype: bug
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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.
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area: main-sourceRelating to the src/ directory (main Conquest source code)Relating to the src/ directory (main Conquest source code)improves: stabilityFix or enhance issues with stability or robustnessFix or enhance issues with stability or robustnesspriority: minortime: hourstype: bug