I am able to complete the workflow however when I try to create the band structure pdf based on the structure data in Pwbandsworkchain node it says there is no structure data to plot. When I examine the report of the calculation I can see that an error is raised in the pwcalculation portion. The error says “PwCalculation<334> failed with exit status 305: Both the stdout and XML output files could not be read or parsed”. This occurs during iteration #1. Has anyone else had an issue with this?
There was a problem with your pw.x calculation. Run
verdi calcjob gotocomputer <PK>
replacing <PK> with the pk of the failed calculation. This will open a shell in the working directory of your calculation. There you should check the output of the aiida.out, _scheduler-stdout.txt and _scheduler-stderr.txt files. They should contain clues as to why the calculation failed.