Thank you Sir, for your kind help.
On 8 February 2018 at 10:51, Nick Papior wrote:
> Dear Sunetra,
>
> You can try and set this variable:
>
> NaiveAuxiliaryCell true
>
> and sometimes this may help as well:
> FixAuxiliaryCell true
>
> 2018-02-07 10:16 GMT+01:00 Sunetra Das :
>
>> Dear SIESTA use
Dear Sunetra,
You can try and set this variable:
NaiveAuxiliaryCell true
and sometimes this may help as well:
FixAuxiliaryCell true
2018-02-07 10:16 GMT+01:00 Sunetra Das :
> Dear SIESTA users,
>
> I have a 2D supercell of 32 atoms which structure I have relaxed. Then I
> wanted to calculate t
Dear SIESTA users,
I have a 2D supercell of 32 atoms which structure I have relaxed. Then I
wanted to calculate the optical and magnetic properties of this relaxed
structure.
In the output file I a getting the following warning, which I do not know
how to solve:
*Naive supercell factors:
Auxiliary supercell needs to be larger than naive one
how one can get rid of this warning. i have a relaxed structure which still
give me this warning.
Are my calculations correct.
