[Pw_forum] job is getting crashed due to when increasing nbnds

Johari, Priya Priya_Johari at brown.edu
Wed Feb 17 17:13:58 CET 2010


Hi,

I am running scf calculations for graphene and I want to have 300-400 bands for a large vacuum (say 100Angs.), for some particular k-points.
When I increase nbnds to even 20, my jobs get crashed, while I want to calculate 300-400 bands. Does anyone know that how can I get these calculations done and why the job is getting crashed?

Thanks in advance,
PJ.



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