[Wien] Error in "init_mbj_lapw"

[Laurence Marks]

Nobody can do more than guess without more information -- please see the
guide to posting. Some things:
a) What Wien2k version?
b) What RMT, RKMAX ?
c) Did you first converge with a standard functional then save?
d) What does "Check-mixing" yield?

‪On Wed, Jul 28, 2021 at 11:59 PM ‫عبدالرزاق خيرالدين‬‎ <aalarrkh at gmail.com>
wrote:‬

> Hi,
> When run scf within TB-mBJ, I often encounter the following problem in
> almost cycle 25 :
> in cycle 27    ETEST: .3350395700000000   CTEST: .3759918
> hup: Command not found.
>  LAPW0 END
>  LAPW0 END
> SELECT - Error
> SELECT - Error
> SELECT - Error
> SELECT - Error
>
> >   stop error
> **  Error in Parallel LAPW1
> **  LAPW1 STOPPED at Thu 29 Jul 2021 01:34:47 AM CET
> **  check ERROR FILES!
>  'SELECT' - no energy limits found for atom   3  L= 1
>
>  'SELECT' - E-bottom -200.00000   E-top -200.00000
>
>  'SELECT' - no energy limits found for atom   3  L= 1
>
>  'SELECT' - E-bottom -200.00000   E-top -200.00000
>
>  'SELECT' - no energy limits found for atom   3  L= 1
>
>  'SELECT' - E-bottom -200.00000   E-top -200.00000
>
>  'SELECT' - no energy limits found for atom   3  L= 1
>
>  'SELECT' - E-bottom -200.00000   E-top -200.00000
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-- 
Professor Laurence Marks
Department of Materials Science and Engineering
Northwestern University
www.numis.northwestern.edu
"Research is to see what everybody else has seen, and to think what nobody
else has thought" Albert Szent-Györgyi
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