[ase-users] tddft calculation

[Ask Hjorth Larsen]

Dear Mortaza,

2017-06-20 11:26 GMT+02:00 Mortaza Aghtar via ase-users
<ase-users at listserv.fysik.dtu.dk>:
>
> Dear All,
>
> I am trying to run a tddft calculation but I am getting this error:
>
> AttributeError: 'PW' object has no attribute 'nn'

Time-propagation is not supported with planewave (PW) mode.  The error
message should be improved.

>
>
> Here are the input lines:
>
> from gpaw.tddft import *
> td_calc = TDDFT('ground-state.gpw')

That will work if the gpw file was created in FD mode.  Alternatively
the LCAO TDDFT module can do time propagation for LCAO mode.

Best regards
Ask

>
>
> Best regards,
> Mortaza
>
> --
> Mortaza Aghtar
> Postdoctoral research fellow
>
> Ulm Universität
> Institut für Theoretiche Physik
> Albert-Einstein-Allee 11
> 89081 Ulm, Germany
>
>
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