[Pw_forum] Gaussian/Lorentzian broadening

Amin Torabi mtorabi at uwo.ca
Wed Apr 1 05:19:06 CEST 2015


Worked like a charm Claudio. Thanks!

On Fri, Mar 27, 2015 at 5:56 PM, Claudio A. Perottoni <caperott at gmail.com>
wrote:

>  Amin,
>
> You may try tabprn95.exe (hanicka.uochb.cas.cz/~bour/programs/list.html).
> The program ask for an input file which is simply a list of mode number,
> frequency and relative intensities (three column ascii file). It should run
> on a linux machine using wine.
>
> Good luck!
>
> Claudio
>
>
> On 23-Mar-15 18:19, Amin Torabi wrote:
>
> I'v used ph.x to calculate some Raman/IR spectra, and now I'd like to
> dress them up using Gaussian/Lorentzian broadening?
>
>  Any suggestion?
>
>  --
>  **********************************
> Amin Torabi
> Ph.D. Candidate
> Department of Chemistry
> University of Western Ontario
> **********************************
>
> Enviado via UCSMail.
>
>
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>
> --
> ******************************************************************
> Claudio A. Perottoni
>
> Universidade de Caxias do Sul
> IMC - Instituto de Materiais Ceramicos
> Rua Irmao Moretto, 75
> 95765-000  Bom Principio - RS - Brazil
> ******************************************************************
>
>
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-- 
**********************************
Amin Torabi
Ph.D. Candidate
Department of Chemistry
University of Western Ontario
**********************************
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