Dear Peter Blaha and wien users,<br> I am trying to run one magnetic systems which is half-metallic in its ground state. I tried to carryout its DOS and band structures with spin-orbit coupling. After giving an input to the window of spin-orbit, when I run the scf cycles, it gives me an error as shown below.<br>
<pre>> stop error
error: command /misc/home/ghimire/wien2k/lapwso lapwso.def failed
> lapwso -up -c         (13:48:26) 0.011u 0.009s 0:00.07 14.2%        0+0k 3760+0io 13pf+0w
> lapw1 -c -dn         (13:48:05) 18.433u 1.835s 0:21.03 96.3%        0+0k 720+0io 0pf+0w
> lapw1 -c -up         (13:47:43) 17.755u 1.883s 0:22.05 89.0%        0+0k 720+0io 0pf+0w
5.074u 0.075s 0:05.31 96.7%        0+0k 2144+0io 0pf+0w
ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
> lapw0         (13:47:38) ABBRUCH: DIE EFG-MATRIX IST DIE NULLMATRIX !
cycle 1         (Wed Feb 22 13:47:38 JST 2012)         (40/99 to go)
start         (Wed Feb 22 13:47:38 JST 2012) with lapw0 (40/99 to go)
on igui with PID 5714
Calculating nimnsb in /misc/home/ghimire/Calculations/nimnsb</pre> I hope that the wien users who is performing spin orbit coupling to the systems might have good idea on it. I will be glad if someone can solve my problem.<br>
Best wishes<br clear="all"><br>-- <br>M. P. Ghimire<br>NIMS, Japan<br><br>