[Wien] error in FSM calculation

[saeid jalali]

Would you answering the following question help us to think better?
Why does one expect to be well converged the program for any imposed fixed spin moments?

 
Your,
Saeid Jalali.
PS: Does it stop at first cycle or higher cycles?
 

"Sergio L. Palacios Diaz" <sergio at pinon.ccu.uniovi.es> wrote:
Hi Wien2k community !!

I am running a FSM calculation for Fe50Cu50. The lattice parameters are
a=b=2.4324473, c=3.44 (angstroms) and the space group is P4/mmm.
When I perform the FSM calculation from m=0.1 to m=4.0 with a step of
0.1 the calculation stops for the m=0.1 value. However I get results for
all the other values of the magnetic moment.
Also, if I employ different values of the lattice parameters, sometimes
the calculation stops at different values of the magnetic moment. For
example, for c=3.43 angstroms (with proper changes in a=b), the FSM only
gets values from m=0.1 to m=0.9 and if c=3.45 angstroms is used then the
calculation runs well from m=0.1 to m=3.5.
The error message is always the same, i.e.

start (Wed Feb 2 00:32:58 CET 2005) with lapw0 (200/20 to go)
> lapw0 (00:32:58) 4.670u 0.010s 0:09.73 48.0% 0+0k 0+0io 264pf+0w
> lapw1 -up (00:33:08) 13.560u 0.810s 0:29.85 48.1% 0+0k 0+0io 313pf+0w
> lapw2 -up (00:33:38) 8.990u 0.140s 0:19.18 47.6% 0+0k 0+0io 284pf+0w

> stop error


This really puzzles me. Can anyone help me to fix this problem ?

Best regards.
-- 
Dr. Sergio L. Palacios
Profesor Titular de Física Aplicada
Dpto. de Física--Facultad de Ciencias
Universidad de Oviedo
C/ Calvo Sotelo s/n
Oviedo 33007
Spain
Phone: +34 98 5 10 28 48
Fax: +34 98 5 10 33 24
e-mail: sergio at pinon.ccu.uniovi.es; slpalacios at uniovi.es

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