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
Please see my response 2 days ago, it seems that you are missing flags in
the input file.
/Nick
On Thu, 10 Mar 2022, 22:02 Neculai PLUGARU, wrote:
>
> 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
>
Hi Nick,
Noted, and thank you for your reply!
best regards
Sukhito Teh
National Tsing Hua University
On Sat, Mar 5, 2022 at 5:01 AM Nick Papior wrote:
> Hi,
>
> No, I would say you need to conduct more experiments in trying to
> understand your system's sensitivity and convergences a bit
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
