[gpaw-users] GW

[Falco Hüser]

I cannot see what's wrong with this input.
Which GPAW version are you using?

On 11/24/2014 03:42 AM, Vito Versace wrote:
> Dear all,
>
> I have an input like this below and i would like to have the gw quasi 
> particle energies in an output for including into a later BSE 
> calculation, but unfortunately i face a syntax error :
> gw = GW(
>          file='Si_groundstate.gpw',
>          nbands=100,                # number of bands for calculation of self-energy
>          bands=np.array([2,3,4,5]), # here: two highest valence and two lowest conduction bands
>          kpoints=None,              # by default: all points in irreducible Brillouin zone
>          ecut=50.,                  # plane wave cutoff for self-energy
>          ppa=True,                  # use Plasmon Pole Approximation
>          txt='Si-3k_GW.out'
>         )
> gw.get_exact_exchange()
> gw.get_QP_spectrum()
> -------------------------------------------
> File "gw_method.py", line 45
>      txt='Si_GW.out',
>        ^
> SyntaxError: invalid syntax
> -------------------------------------------
> So what would be the correct syntax in GW run for obtaining a GW output ?
> Bests
> Vito
>
>
>
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