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

[Tuomas Rossi]

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 <mailto:puzha at fotonik.dtu.dk>
> Homepage: www.researchgate.net/profile/Pu_Zhang4 
> <http://www.researchgate.net/profile/Pu_Zhang4>
> Phone: +86 18871860394
>
>
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