[Wien] Error while doing AFM calculation

[Laurence Marks]

You have an issue with the linearization energy of the semi-core Yb state.
This may be due to a problem in your struct file (please provide it) or
your in1 file (please provide that).

_____
Professor Laurence Marks
"Research is to see what everybody else has seen, and to think what nobody
else has thought", Albert Szent-Györgyi
www.numis.northwestern.edu

On Tue, May 18, 2021, 05:43 <413119008 at nitt.edu> wrote:

> sir,
>
>         I am using wien2k 19.2.Using w2web i have given the input for
> struct generation and initialisation was done by manually with
> magnetic Yb Atoms.As i go for SCF run i am getting error in uplapw1
> and the error message in uplapw1.error file is as shown below
>
>   'SELECT' - no energy limits found for atom   2  L= 0
>   'SELECT' - E-bottom   -3.32159   E-top -200.00000
>
>
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