[gpaw-users] Fwd: GPW reading zero temp. energy

[Jess Wellendorff]

Hi Vladislav,

is this what you are looking for:

/from gpaw import GPAW
calc = GPAW('X.gpw')
e = calc.get_potential_enregy()
/
where /'X.gpw'/ is your gpw file and /e/ is the zero-temperature total 
energy in eV.

cheers,
Jess


On 05/18/2012 02:08 PM, David Dominic Landis wrote:
> Hi Vladislav
>
> I think people on the gpaw mailing list can explain this best ...
>
> Best,
>  David
>
> -------- Original Message --------
>
>
>
> Hi David,
> please let me know how can I read the zero temp. energy, if it is 
> saved some how. There is only GPW file left and txt file lost (
> Many thanks,
> Vladislav
>
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