[Wien] AFM LaMnO3 lapw1up error

[Natalia Perkins]

Dear Stefaan, dear all,
I doing calculation for AFM phase of LaMnO3. 
I followed suggestion of Stefaan, and accept all changes of symmetry
proposed by nn and sgroup. I did all the initialization without any
problem, the only thing I am not sure I did correctly is the preparing of
afminput. It asks me if the 1/1 , 1/2 ... atoms have the same spin density
 Does it mean that the occupation of spin up for atom 1 is equal to the
occupation of spin down for atom 2? If so, I did not understand why it
asked me also for 1/1 ...?

In any case, lapw0 ran succesfully without any errors, while I got

uplapw1.error
 
 Cholesky INFO =          225
 'SECLR4' - POTRF (Scalapack/LAPACK) failed.



and in the LMNO3.dayfile is written 

    start 	(Tue Oct 14 15:08:38 CEST 2003) with lapw0 (20/20 to go)
>;   lapw0 	(15:08:38) 61.870u 0.290s 1:04.06 97.0%	0+0k 0+0io
186pf+0w
>;   lapw1  -up   	(15:09:42) 421.050u 1.440s 7:17.20 96.6%
0+0k 0+0io 262pf+0w

>;   stop error



may be it is connected with the fact that I did not understand correctly
how to make input for afm calculation.


Yours, Natalia Perkins