[Pw_forum] phonon calculation

[Stefano Baroni]

Just try a set of values of your choice, and then vary them until the accuracy of the results (which can be estimated by comparing results obtained from different values of nq1,nq2,nq3) pleases you. SB

On Aug 12, 2012, at 6:47 AM, Abolore Musari wrote:

> Dear sir.
> Sir l just want to ask how do l know the proper nq1 nq2 nq3 to use in
> my phonon calculation after my scf calculation.
> Am sorry l ask this type of question l will be so happy if u can kindly explain
> thanks
> Musari. A.A
> UNAAB Nigeria
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---
Stefano Baroni - SISSA  &  DEMOCRITOS National Simulation Center - Trieste
http://stefano.baroni.me [+39] 040 3787 406 (tel) -528 (fax) / stefanobaroni (skype)

La morale est une logique de l'action comme la logique est une morale de la pensée - Jean Piaget

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