[Wien] Wien2k OPTIC crashing for XMCD calculation

[Santu Baidya]

Dear Prof. Blaha and Wien2k users,

   I am using wien2k version WIEN2k_14.1 (Release 8/9/2014) for calculating
xmcd spectra of Co L23 edge for 8 atoms system. So I generated case.struct
file. The did normal GGA+U spin polarized calculation using "runsp_lapw
-orb -p".

Then I ran few commands as mentioned in userguide and wien2k forum:
1) x kgen -p (for denser grid)
2) x lapw1 -orb -up/dn -p (for eigenvalue calculations)
3) x lapw2 -fermi -up/dn -p (for fermi energy calculation)
4) editing case.inop file with additional line "XMCD 1 L23"
5) x optic -orb -up -p

Before optic it ran very well. But after running optic it crashes with
error:

running OPTIC in parallel mode
[1] 13265
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def;
rm -f .lock_$lockfile[$p] ) >>  ...
[1] 13273
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def;
rm -f .lock_$lockfile[$p] ) >>  ...
[1] 13281
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def;
rm -f .lock_$lockfile[$p] ) >>  ...
[1] 13289
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def;
rm -f .lock_$lockfile[$p] ) >>  ...
[1] 13295
[1]  + Done                          ( cd $PWD; $t $exe ${def}_${loop}.def;
rm -f .lock_$lockfile[$p] ) >>  ...
**  OPTIC crashed!
0.016u 0.032s 0:05.26 0.7% 0+0k 0+840io 0pf+0w
error: command   /home/santu/wien2k/14/opticcpara -up -c upoptic.def
failed

After looking into other such error in wen2k forum I do not find its
solution which led me to report it in the forum and asking for solution if
known. My system has only 8 atoms which is not big. So why should it crash
!!!!
Even I tried in GGA+U+SO calculation I got same problem which led me to do
normal GGA+U calculation for trial. But it gives me same "optic crash".


I would like to request you to help me to solve this problem in running
optic program. Is wien2k optic program is unstable for XMCD calculation ?!


Thanking you in advance,

Santu Baidya
University of Duisburg
Germany
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