[gpaw-users] How do we visualize .ftd file generated by Fourier transformed density?
Pu ZHANG
puzhang0702 at gmail.com
Mon Mar 30 13:53:09 CEST 2015
Hi, all!
I have a follow-up question on the usage of extract_ftd.py tool. After
running the script, the output looks like:
Select grid refinement [1*/2]: Saving anthr_fourier_Fnt_w0_s0_mod.cube
(omega= 1.91 eV)...
Saving anthr_fourier_Fnt_w0_s0_arg.cube (omega= 1.91 eV)...
Saving anthr_fourier_Fnt_w1_s0_mod.cube (omega= 4.70 eV)...
Saving anthr_fourier_Fnt_w1_s0_arg.cube (omega= 4.70 eV)...
Saving anthr_fourier_Ant_s0.cube...
It's not difficult to figure out what the first four .cube files are, but
the last one is more obscure. From the script I only see it somehow related
to average. Does anyone know what it is?
Thanks!
Best regards, Pu Zhang
--
Faculty at School of Physics, Huazhong University of Science and Technology
Room 819 (N.), Yifu Science and Technology Building
1037 Luoyu Road, Wuhan, China
E-mail: puzhang0702 at hust.edu.cn <puzha at fotonik.dtu.dk>
Homepage: www.researchgate.net/profile/Pu_Zhang4
Phone: +86 18871860394
On Wed, Nov 26, 2014 at 6:04 PM, Marcin Dulak <Marcin.Dulak at fysik.dtu.dk>
wrote:
> Hi,
>
> On 11/26/2014 10:23 AM, Pu ZHANG wrote:
>
> There's a script on GitHub gpaw/tools/extract_ftd.py. Is it used to read
> the .ftd file? But I couldn't find such a script in gpaw release.
>
> GPAW is not on github (maybe this will change one day) and any repository
> you find there is not supported.
> Please see:
> https://trac.fysik.dtu.dk/projects/gpaw/browser/trunk/tools
>
> Best regards,
>
> Marcin
>
>
> Thanks!
>
> Best regards, Pu Zhang
> --
> Postdoc
> The group of Structured Electromagnetic Materials
> Department of Photonics Engineering
> Technical University of Denmark
> Ørsteds Plads, Building 345v, 166
> 2800, Kgs. Lyngby
> E-mail: puzha at fotonik.dtu.dk
> Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0
> Phone: 45 25 36 43
> Fax: 45 93 65 81
>
> On Tue, Nov 25, 2014 at 10:17 PM, Pu ZHANG <puzhang0702 at gmail.com> wrote:
>
>> Dear all,
>>
>> I'm following the documentation and get .ftd files from Fourier
>> transformed density. However I wasn't able to find in the documentation how
>> to open the file and visualize the density.
>>
>> Could anyone enlighten me? Thanks!
>> Best regards, Pu Zhang
>> --
>> Postdoc
>> The group of Structured Electromagnetic Materials
>> Department of Photonics Engineering
>> Technical University of Denmark
>> Ørsteds Plads, Building 345v, 166
>> 2800, Kgs. Lyngby
>> E-mail: puzha at fotonik.dtu.dk
>> Homepage: http://www.dtu.dk/Service/Telefonbog/Person?id=91944&tab=0
>> Phone: 45 25 36 43 <45%2025%2036%2043>
>> Fax: 45 93 65 81 <45%2093%2065%2081>
>>
>
>
>
> _______________________________________________
> gpaw-users mailing listgpaw-users at listserv.fysik.dtu.dkhttps://listserv.fysik.dtu.dk/mailman/listinfo/gpaw-users
>
>
>
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