Hi,
Sorry, I don't understand your response. I referred to the lattice vectors
in the two calculations not being parallel.
It is not due to your k-point samplings.
Den ons. 22. jan. 2020 kl. 22.01 skrev Ziba Torkashvand <
zi.torkashv...@gmail.com>:
> Actually, I just have two electrodes (in the
Dear all,
There is a ms_scalapack_setup routine cal in two functions
(sankey_change_basis.F is one of them, can't remember the other one); I cannot
find the appropriate library to use to load. I see the routine is called for
TDDFT calculations, and so I am just going into these two files and co
Hi Ziba,
In the manual for transiesta to work the kpoints have to be the same. The code
will stop if they are not. Hope that answers your question
[cid:4702c1c0-7f1b-4d11-957d-7da7cb867976]
El-abed Haidar | Doctor of Philosophy (Science)
Condensed Matter Theory (CMT) Group
| School of Physics
