[Pw_forum] Negative pressure during vc-relax

Paolo Giannozzi giannozz at democritos.it
Mon Jul 12 15:48:55 CEST 2010


Paolo Giannozzi wrote:

>> As you can see I have used a convergence threshold for electrons of the 
>> order of 10^-2 
> 
> way too small

I meant: too big, you should use something like the
default (10^{-6})

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



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