[QE-users] No IR vibrational peak

[Paolo Giannozzi]

On 11/30/22 06:37, 홍장희 wrote:

> ...epsilon and Z* not read (not found on file)

no effective charges, no IR activities

> Can you tell me how enable the calculation of dielectric constant and 
> effective charges?

in the phonon calculation, set "epsil=.true."

Paoo
-- 
Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche,
Univ. Udine, via delle Scienze 208, 33100 Udine, Italy
Phone +39-0432-558216, fax +39-0432-558222