[Wien] Error in LSDA+U

[SANJAY KUMAR SINGH]

Respected Prof. P. Blaha Sir and All wien2k users,

>
>                                            Wish you all a very happy new
> year 2013.
> From last three days I am facing two issues with LSDA+U calculation on
> rare earth compounds.
> First one is with scf calculation I found flowing warning
>
> on sanjay-laptop with PID 6198
> using WIEN2k_11.1 (Release 5/4/2011) in /home/sanjay/WIEN2K
>
>
>     start 	(Wed Jan  2 15:30:46 IST 2013) with lapw0 (40/99 to go)
>
>     cycle 1 	(Wed Jan  2 15:30:46 IST 2013) 	(40/99 to go)
>
> >   lapw0 	(15:30:46)  WARNING: The EFG-MATRIX is a NULLMATRIX ! WARNING: The EFG-MATRIX is a NULLMATRIX !
> 1.2u 0.0s 0:01.27 100.7% 0+0k 0+832io 0pf+0w
> Second error found when i tried for optimization
>
> Error in LAPW1
>  'SELECT' - no energy limits found for L=
> 0
>  'SELECT' - E-bottom -200.00000   E-top -200.00000
>
>
> Can anybody comment on this issues.
>
>
>
> Regards,
> Sanjay


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*SANJAY KUMAR SINGH*

SCHOOL OF STUDIES IN PHYSICS

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