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

Paolo Giannozzi giannozz at democritos.it
Wed Feb 17 17:32:14 CET 2010


Johari, Priya wrote:

> I want to have 300-400 bands for a large vacuum (say 100Angs.)

I don't see any good reason to have such a large vacuum.
If you see one, you should learn how to estimate the memory
requirements of plane-save based calculations

P.
-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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