Dear Giacomo,
I found that the Vibra accompanied with SIESTA-3.1 can calculate IR
intensities.
Intensities .true.
in the input of Vibra with .FC and .BC.
Cheers,
Tatsuhiko
----- Original Message -----
From: "Giacomo Giorgi" <[email protected]>
To: <[email protected]>
Sent: Friday, October 05, 2012 12:57 PM
Subject: Re: [SIESTA-L] LO-TO splitting and IR spectrum
Dear All,
actually I realized that about other 20 people experienced my situation
without getting the code for obtaining the IR spectrum....
I wonder if, without such code, it is still possible to calculate LO-TO
splitting simply from .FC and .BC and possibly the IR spectrum too.
Excuse me I repeated the question but I really would need an answer.
With very best regards,
Giacomo
On Tue, 2 Oct 2012, Giacomo Giorgi wrote:
Dear Users,
I got my .FC and .BC files from the .FC calculation.
I have written to Tom Archer in order to get the tool for calculating the
IR spectrum (as written in the Vibra manual), without anyway receiving
any reply.
Can anyone share it with me?
Thanks in advance!
Best,
Giacomo
P.S.: From the same FC calculation how to calculate the LO-TO splitting?
--
"Oltre le illusioni di Timbuctu'
e le gambe lunghe di Babalu' c'era questa strada...
Questa strada zitta che vola via come una farfalla,
una nostalgia, nostalgia al gusto di curacao...
Forse un giorno meglio mi spieghero'..."
(Paolo Conte, "Hemingway")
--
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
* Giacomo Giorgi *
* Assistant Professor *
* Research Center for Advanced Science and Technology (RCAST), *
* The University of Tokyo *
* 4-6-1, Komaba, Meguro-ku, Tokyo 153-8904, Japan *
* tel./fax: +81 3 5452 5442 *
* * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * *
"Oltre le illusioni di Timbuctu'
e le gambe lunghe di Babalu' c'era questa strada...
Questa strada zitta che vola via come una farfalla,
una nostalgia, nostalgia al gusto di curacao...
Forse un giorno meglio mi spieghero'..."
(Paolo Conte, "Hemingway")
