[QE-users] Restarting Interrupted SCF Calculations

wenusaras wenusaras at uom.lk
Sun Aug 18 14:24:16 CEST 2024


Dear QE Users,

I've been experiencing system shutdowns due to building maintenance, 
which often interrupts long-running SCF calculations. My calculations 
can take several days to complete, making these interruptions quite 
disruptive.

I'm reaching out to inquire about the possibility of restarting these 
calculations from the point of interruption.
Could you please suggest appropriate restart commands or procedures to 
pick up where I left off?

Any guidance you can provide would be greatly appreciated.

-- 
Thank You
Wenusara Satheekshana
Graduate Researcher, University of Moratuwa, Sri Lanka.


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