[gpaw-users] Calculations in LCAO mode

[Ask Hjorth Larsen]

Hi

On Wed, 22 Feb 2012, Jens Jørgen Mortensen wrote:

> On 22-02-2012 13:56, Ask Hjorth Larsen wrote:
(...)
>> I guess it isn't possible to set fprojectors dynamically after all, due to
>> the import order.  We really should get rid of all these global variables
>> because they prevent fully scripting things within Python.
>>
>> (I assume it works normally when using --gpaw=fprojectors=True)
>
> Would it be possible to make a basis set without f-basis functions?
>
> Jens Jørgen

What exactly do you mean?  Since Python is Turing complete it is certainly 
possible, but that's probably not very helpful :)

Regards
Ask