[QE-users] raman with phcg

[Paolo Giannozzi]

On 13/06/2022 15:47, Aleksandra Oranskaia wrote:

> I found out that even without Raman cross sections, phcg gives some 
> troubles with CG minimization [...] >     *** Conjugate Gradient minimization not converged after  50 
iterations

hard to say anything sensible, with so little information available

Paolo
-- 
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