Great it got sorted out!
On Tue, 15 Mar 2022, 10:30 Neculai PLUGARU, wrote:
>
> Dear Nick, Dear All
>
> I wish to thank you for your great help in finding out what went wrong in
> my calculations with TBT 4.1.5, on large, spin polarized systems, (about
> 400 atoms). The tests cost me about 10
Dear Nick, Dear All
I wish to thank you for your great help in finding out what went wrong
in my calculations with TBT 4.1.5, on large, spin polarized systems,
(about 400 atoms). The tests cost me about 10 days and lots of worries.
(being an inexperienced SIESTA user, obviously).
Well,
Dear SIESTA Community
I use SIESTA 4.1.5 and the associated TS and TBT. TBtrans was compiled
following the instructions in the TBtrans manual, using NETCDF-4 and MKL
libs.
I want to calculate the eigen channels for the transmission matrix for a
spin-polarized system. For that purpose we
