[Wien] Error in "init_mbj_lapw"
عبدالرزاق خيرالدين
aalarrkh at gmail.com
Thu Jul 29 06:59:24 CEST 2021
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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