[Octopus-users] casida calculation error

[Alberto Castro]

Hi,

Casida's *theory* does not work for periodic systems, I am afraid.
Therefore the code does not, either. The code should maybe stop with a
helpful message instead of segfaulting, but in anycase it does not make
sense to try it.

On Tue, 11 Mar 2008, Zhu Xi wrote:

> Hi users;
> when I do the casida calculation, there is an error message:
>
> Input: [RelativisticCorrection = non_relativistic]
> Input: [TDGauge = length]
> Input: [AbsorbingBoundaries = no_absorbing]
> Info: Starting linear response calculation.
> Info: Found  14 occupied states.
> Info: Found   4 unoccupied states.
> Info: Setting up Hamiltonian.
> Info: States that form the basis: 1-1024
> Info: Approximating resonance energies through KS eigenvalue differences
> [ 56/ 56]
> 100%|*******************************************************************************************|
> --:-- ETAforrtl: severe (174): SIGSEGV, segmentation fault occurred
>
>
>
>
> does the casida claculation doesn't suport periodicdic system? thanks
>

======================================================================
Dr. Alberto Castro

Institut fur Theoretisch Physik, Freie Universitat Berlin.
Arnimallee, 14, Berlin 14195 (Deutschland)

Tel:   +49 30 83853028
Fax:   +49 30 83855258
skype: alberto_c_barrigon
email: alberto at physik.fu-berlin.de
======================================================================