Hello SIESTA users,
I am using the vibra package of siesta-4.0 version to check the phonon
frequencies for my 32 atom planar system. Upon running 'fcbuild' I have not
faced any issue but while calculation the force constant matrix, I am
getting the following error:
NOTE: orbital pair 1 172
Hello all,
Please pardon me my mistake, the version of siesta I am using for 'vibra'
is seista-3.0-b
Thank You.
Sincerely,
Sunetra Das
On 2 September 2017 at 10:39, Sunetra Das wrote:
> Hello SIESTA users,
>
> I am using the vibra package of siesta-4.0 version to check the phonon
> frequencie