[gpaw-users] Two simple questions on TDDFT in GPAW

[Pu ZHANG]

Thanks for the reply! I will take a look at these.

On Monday, March 16, 2015, Tuomas Rossi <tuomas.rossi at aalto.fi> wrote:

>  Hi,
>
> The frequency of the saving restart file can be changed with
> "dump_interval" parameter of propagate() function, see
>
> https://wiki.fysik.dtu.dk/gpaw/documentation/tddft/timepropagation.html#tddft-reference-manual
>
> The txt parameter for output should also work for the TDDFT object. You
> can specify it when creating the TDDFT object.
>
> Best regards,
> Tuomas
>
>
> On 2015-03-15 10:04, Pu ZHANG wrote:
>
>  Dear all,
>
>  During time propagation, it seems the default frequency of saving
> restart file is one time per 100 steps. The process of data storage might
> take long time considering this rather high saving frequency. Is there a
> way to modify it to something like 500 or so?
>
>  The command
>
>  calc.set(txt='GPAW.txt')
>
>  specifies where to write the output for a ground state calculation. Is
> there a similar thing for time propagation?
>
>  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
> <javascript:_e(%7B%7D,'cvml','puzha at fotonik.dtu.dk');>
> Homepage: www.researchgate.net/profile/Pu_Zhang4
> Phone: +86 18871860394
>
>
> _______________________________________________
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>
>

-- 
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
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