[Pw_forum] about TDDFPT

jiayudai daijiayu at nudt.edu.cn
Sat Feb 26 10:45:18 CET 2011

Dear Mehmet,

Thanks for your quick response, it really helpful. The problem now is that we did not have the explanation of input variables from tddfpt. Besides, there are some different in the released code of QE-4.3a from the files you supplied for the old version. So, i would like to know the details for the input files and the postplot after the calculations.



>From: Mehmet Topsakal <metokal at gmail.com>
>To: jiayudai <daijiayu at nudt.edu.cn>, PWSCF Forum <pw_forum at pwscf.org>
>Subject: Re: [Pw_forum] about TDDFPT
>Date: Sat, 26 Feb 2011 11:25:23 +0200


I attendedhttp://www.democritos.it/nanoexcite2010/and here is some of my files that I collected during workshophttp://unam.bilkent.edu.tr/mt2/random/nanoexcite2010/. They might be helpful.


On Sat, Feb 26, 2011 at 10:51 AM, jiayudai <daijiayu at nudt.edu.cn> wrote:

Dear developers,

We are very pleased to see the release of TDDFPT in the new code of QE. However, there is no any explanation about it in the Doc directory. For example, we do not know what's the meaning of the input varables, the treatment for the spectra. So, is there any other files which we can find how to understand the input file and how to get the spectra from the output files? Even in the Examples supplied in the code, there is no any README exaplanation.

Thanks a lot.

Jiayu Dai
Department of Physics
National University of Defense Technology,
Changsha, 410073, P R China
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Mehmet Topsakal (Ph.D. Student)
UNAM-Institute of Materials Science and Nanotechnology.
Bilkent University. 06800 Bilkent, Ankara/Turkey
Tel: 0090 312 290 3527 ; Fax: 0090 312 266 4365
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