Dear Friends,
As sify mail provider would cease operation from 1st July 2014, I would
like the mails to be sent to my alternative mail ID
ritawie...@gmail.com
Thanks
*Regards*
*Dr. Rita JohnProfessorDepartment of Theoretical PhysicsUniversity of
MadrasChennai 600 025, India+91 95662 4513
Dear Wien Users,
I got regular structure optimization and initialization. I wrote the
command:
hkara@hkara-System-Product-Name:~/Calculation/SrTiO3/a3$ *runsp_lapw -ec
0.1 -cc 0.1 -NI -i 50*
hup: Command not found.
LAPW0 END
LAPW1 END
LAPW1 END
LAPW2 END
LAPW2 END
CORE END
CORE E
Hi,
It is not error. Your calculation is correct. You can find
discussion about hup command in the mailing list.
Regards
wasim
On Wed, Jun 25, 2014 at 12:14 PM, hüsnü kara wrote:
> Dear Wien Users,
>
> I got regular structure optimization and initialization. I wrote the
> command:
>
Ok. Thank you
With regards,
25 Haz 2014 19:37 tarihinde "wasim raja Mondal"
yazdı:
> Hi,
> It is not error. Your calculation is correct. You can find
> discussion about hup command in the mailing list.
>
> Regards
> wasim
>
>
>
> On Wed, Jun 25, 2014 at 12:14 PM, hüsnü kara
> wrote:
>
Dear wien users
I am doing spin polarized electronic calculations
of GdCd compound.
After structure generation when i am running SCF cycle then i got the
following error
Error in LAPW1
'SELECT' - no energy limits found for atom 1 L=
0
'SELECT' - E-bottom1.0948
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