Dear everyone: I have a question on phonon calculation with dispersion corrections.
In order to include the (semi-empirical) vdW correction into phonon calculation, I first performed the scf calculation with the command "vdw_corr = 'Grimme-D2'", then I performed the phonon calculation with PH.x. But, I didn't found any command in the input lists of the phonon program, PH.x. Also, in the output of PH.x, there is no message about the vdW correction. If the scf calculation included the vdW corrections, does the phonon calculation automatically (without any command about vdW) include the vdW correction in the phonon calculation? Regards. H. Lee -------------- next part -------------- An HTML attachment was scrubbed... URL: http://pwscf.org/pipermail/pw_forum/attachments/20140728/11ece794/attachment.html
