[Wien] lapw2 -so crashes for GaAs

[Fhokrul Islam]

Hello all Wien2k user,

     I am trying some test run for unpolarized GaAs bulk structure. The job runs fine without the spin-orbit coupling (SO) but when I
add SO, it crashes after running 2 cycles. I have tried few independent runs as is suggested in the mailing list but it
always crashes after 2 cycles when SO is added. I also have tried spin polarized structure but the outcome was same. The spin-orbit
calculation for other cystals structures such as fcc and dhcp works fine, so I suspect I am probably doing something wrong with the
set up of GaAs.  I am wondering if anyone can suggest me how to fix the problem. I have attached the error messages from the dayfile 
and the log file along with the structure file.


Thanks,
fislam   


Error message from case.dayfile:

>   lapw2 -c -so -p 	(15:39:20) running LAPW2 in parallel mode
**  LAPW2 crashed!
0.504u 0.280s 0:07.11 10.9%	0+0k 0+0io 0pf+0w
error: command   /home/eisfh/Wien2k_09/lapw2cpara -c -so lapw2.def   failed


Error message from case.log file:

cp: cannot stat `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp': No such file or directory
rm: cannot remove `.in.tmp1': No such file or directory


Structure file:

GaAs
F   LATTICE,NONEQUIV.ATOMS:  2216_F-43m
MODE OF CALC=RELA unit=bohr
 10.683193 10.683193 10.683193 90.000000 90.000000 90.000000
ATOM   1: X=0.00000000 Y=0.00000000 Z=0.00000000
          MULT= 1          ISPLIT= 2
Ga1        NPT=  781  R0=0.00010000 RMT=    2.2000   Z: 31.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM   2: X=0.25000000 Y=0.25000000 Z=0.25000000
          MULT= 1          ISPLIT= 2
As1        NPT=  781  R0=0.00010000 RMT=    2.2000   Z: 33.0
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
  24      NUMBER OF SYMMETRY OPERATIONS