Coulomb cut-off QE+yambo

[sitangshu]

Dear Sir,

There is a recent advancement in QE phonon package where the LO-TO splitting could be shut-down for certain 2D systems. For this one need not apply vacuum in the out of plane direction, but simply activate the specific button. My query is that whether the output from the scf and phonon calculation done using this procedure is compatible with the present YAMBO version?

With regards,
Sitangshu

[Daniele Varsano]

Dear Sitangshu,
Unfortunately, I do not know in detail the QE option. Anyway I would say that if you do not add vacuum, yambo calculations will be anyway affected by replica coulomb interactions.

Best,
Daniele