Re: [QE-users] Phonon calculation does not converge

2024-01-29 Thread Paolo Giannozzi
On 1/29/24 11:26, Chirantan Pramanik wrote: 'Error in routine phq_readin (1): Wrong nmix_ph' there is no such error anywhere in the phonon code Paolo -- Paolo Giannozzi, Dip. Scienze Matematiche Informatiche e Fisiche, Univ. Udine, via delle Scienze 208, 33100 Udine Italy, +39-0432-558216

Re: [QE-users] Phonon calculation does not converge

2024-01-29 Thread Chirantan Pramanik
Hello Lorenzo Paulatto and Nicola Marzari, I performed relax and scf both with the prescribed cutoff as discussed in the previous mail and now I am running phonon. I am trying to increase the 'nmix_ph' to 16 as I have more memory available in the server, but the error says, 'Error in routine