Hi, All
I have the following flags in the input: section for TBT :
...
TBT.DOS.A.All true
TS.SolutionMethod btd
TS.BTD.Pivot atom+rev-CM+Left
%block TBT.k
diag 3 3 1
%endblock
%block TBT.Contours
line
%endblock TBT.Contours
%block TBT.Contour.line
part line
from -15. eV to 10. eV
delta 0.02
Hi,
And could you attach the input and output again... The last output clearly
showed that you had not put those flags in. So I am guessing you are doing
the same thing again
Please, always attach input and output!
And you write something about tbt.t.eig true which does not make sense...
As
Hi, Nick
Thank you, very much, for the checks and your time.
1) your scat.fdf does not ask for transmission eigenvalues. I.e. I can't
find TBT.T.Eig in scat.fdf, this is also reflected in tbt.out which
lists 0 transmission eigenvalues should be calculated. So nothing wrong
there.
Den ons. 9. mar. 2022 kl. 14.35 skrev Neculai PLUGARU <
neculai.plug...@imt.ro>:
> Hi, Nick
>
> Thank you, very much, for the checks and your time.
>
> 1) your scat.fdf does not ask for transmission eigenvalues. I.e. I can't
> find TBT.T.Eig in scat.fdf, this is also reflected in tbt.out which
Hi,
1) what is your input file
2) what does the top 10 lines of the tbtrans output say?
3) do you have the netcdf file SystemLabel.TBT.nc present in your
calculation folder?
Den fre. 4. mar. 2022 kl. 22.07 skrev Neculai PLUGARU <
neculai.plug...@imt.ro>:
> Dear SIESTA Community
>
> I use
