[gpaw-users] Calculations in LCAO mode

[Jens Jørgen Mortensen]

On 22-02-2012 19:40, Ask Hjorth Larsen wrote:
> 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?

What I meant was, is the f-functions necessary - does it improve things 
to have it?

Jens Jørgen

>    Since Python is Turing complete it is certainly
> possible, but that's probably not very helpful :)
>
> Regards
> Ask