forum@abinit.org

Subject: The ABINIT Users Mailing List ( CLOSED )

List archive

Re: [abinit-forum] Phonon calculation: negative values of acoustic phonon frequency

From: <ilukacevic@fizika.unios.hr>
To: forum@abinit.org
Subject: Re: [abinit-forum] Phonon calculation: negative values of acoustic phonon frequency
Date: Thu, 25 Sep 2008 10:06:41 +0200 (CEST)

Hi!

Did You do the convergence studies with the new pseudo for As, 33-As.LDA.fhi?
The converged values for ecut, ngkpt, lattice parameters and phonon
frequencies
may be different for the 33-As.LDA.fhi than those for 33as.pspnc.

Cheers,

Igor Lukacevic

[abinit-forum] Phonon calculation: negative values of acoustic phonon frequency, Thanusit Burinprakhon, 09/24/2008
- Re: [abinit-forum] Phonon calculation: negative values of acoustic phonon frequency, ilukacevic, 09/25/2008
  - Re: [abinit-forum] Phonon calculation: negative values of acoustic phonon frequency, matthieu verstraete, 09/25/2008