[Q-e-developers] [Fwd: [Pw_forum] Availability of phonon and raman calculations]

Paolo Giannozzi giannozz at democritos.it
Wed Sep 29 14:03:48 CEST 2010


Any comment?

-------- Original Message --------
Subject: [Pw_forum] Availability of phonon and raman calculations
Date: Thu, 23 Sep 2010 10:46:55 +0200
From: Silvia Bahmann <Silvia.Bahmann at physik.tu-freiberg.de>
Reply-To: PWSCF Forum <pw_forum at pwscf.org>
To: pw_forum at pwscf.org


Hi all,

maybe there's a better mailing list to ask this, but I wanted to enquire if
there are recent developments in the code that would allow to do:

phonons with LDA+U
raman for spin-polarized systems
raman with US-PP
raman with LDA+U

in the near future.


Thanks, Silvia


-- 
Dipl.-Nat. Silvia Bahmann
TU Bergakademie Freiberg
Institut für Theoretische Physik
Leipziger Straße 23, 09596 Freiberg
Tel.: 03731 / 39 2591
Email: silvia.bahmann at physik.tu-freiberg.de
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-- 
Paolo Giannozzi, Democritos and University of Udine, Italy



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