TS CHECKS AND WARNINGS

Asked by 翟明星 on 2020-09-03

In running the 4.1-b4 version of Transiesta, the warning message appears as follow:

>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>
Without loosing performance you can increase the equilibrium integration precision.
You can add 26 more energy points in the equilibrium contours, for FREE!
This is 13 more energy points per chemical potential.
Without loosing performance you can increase the non-equilibrium integration precision.
You can add 18 more energy points in the non-equilibrium contours, for FREE!
>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>>

Does this warning influence the calculation? if yes, how can I fix it?

Question information

Language:
English Edit question
Status:
Solved
For:
Siesta Edit question
Assignee:
No assignee Edit question
Solved by:
Nick Papior
Solved:
2020-09-04
Last query:
2020-09-04
Last reply:
2020-09-04
Nick Papior (nickpapior) said : #1

What do you think it means, we would be happy to improve the message, but I would like to know what users think it means.

翟明星 (mxzhai) said : #2

I thought that this warning is telling me to increase the energy points of TS.Contour at both equilibrium and non-equilibrium, and then I increased the points at both equilibrium and non-equilibrium. But I found out the output file also have this warning, the only difference is the number of energy points. So I think this warining is probably not a real physical calculation error, and I can neglect it.

At 2020-09-04 02:50:46, "Nick Papior" <email address hidden> wrote:
>Your question #692726 on Siesta changed:
>https://answers.launchpad.net/siesta/+question/692726
>
> Status: Open => Needs information
>
>Nick Papior requested more information:
>What do you think it means, we would be happy to improve the message,
>but I would like to know what users think it means.
>
>--
>To answer this request for more information, you can either reply to
>this email or enter your reply at the following page:
>https://answers.launchpad.net/siesta/+question/692726
>
>You received this question notification because you asked the question.

Best Nick Papior (nickpapior) said : #3

Agreed, this is correct. Thanks!

翟明星 (mxzhai) said : #4

Thanks Nick Papior, that solved my question.