Open kbsezginel opened 1 year ago
Hi @kbsezginel,
We currently have no one actively maintaining zeopp (this is the reason no one also saw this issue). Perhaps you can contact Macej directly (mharanczyk@lbl.gov)?
Can you share some example inputs (CIF and CSSR) and I might also give it a try?
All the best, Kevin
I am having issues with the voronoi volume check failing. So far I have tried building on a mac as well as a linux machine both from this repo and using the source code from zeoplusplus.org. Here is the output for
./network -ha -vol 1.2 1.2 50000 EDI.cssr
:I have tried different structures as well and all seem to be failing at the same step with an unusually large error. Any ideas what might be the issue?