[Pw_forum] On the size of Monkhorst-Pack grid for phonon calculation
Yi Wang
wangwy13 at gmail.com
Tue Apr 5 05:09:11 CEST 2016
Dear everyone,
What would be the appropriate value for the size of Monkhorst-Pack grid
for phonon calculation?(Such as for primitive cell of bcc/fcc metals)
In the published papers, I saw it is usually very detailed on SCF or relax
parameters but seldom saw on this.
Could you tell me how should we consider the size effect? Is there a
procedure like how we do on ecut convergence?
Sorry this question is not directly PWscf concerned.
Many thanks for any help.
--
Yi Wang
Ph.D candidate at Nanjing University of Science and Technology
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