I did that and now it says Erroneous electrode setup, check out-put
On Sat, Aug 5, 2023 at 3:00 PM Nick Papior wrote:
> You are requesting the last electrode to start at the last atom, thus
> resulting in requesting non-existing atoms. It should be "elec-pos end -1".
>
> Den fre. 4. aug. 2023
You are requesting the last electrode to start at the last atom, thus
resulting in requesting non-existing atoms. It should be "elec-pos end -1".
Den fre. 4. aug. 2023 kl. 22.00 skrev El-Abed Haidar <
ehai2...@uni.sydney.edu.au>:
> Good evening all,
>
> I am studying a graphene system and would
Thank you very much I. Camps
However, there are 94 atoms in AtomicCoordinatesAndAtomicSpecies.
The student numbered 1-32 for left electrode 1-30 scattering and 1-32 right
electrode.
Can you see that? If so, any other suggestions?
Cheers,
EL-Abed
EL-ABED HAIDAR
|Doctor of Philosophy (Science)
Hi,
In the AtomicCoordinatesAndAtomicSpecies block, you only have 32 atoms,
but you declared that there are 94.
[]'s
Camps
Em sex., 21 de jul. de 2023 17:00, El-Abed Haidar <
ehai2...@uni.sydney.edu.au> escreveu:
> Good day all,
>
> I was wondering if anyone could help me understand why I
