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 _______________________________________________ Pw_forum mailing list Pw_forum@pwscf.org http://pwscf.org/mailman/listinfo/pw_forum