[Wien] SegFault in lapw2 when using the -fc switch

[vivien badaut]

Dear WIEN2k users

I am using WIEN2k since a few month, and I am studying the compound IrTe2
on a local cluster (Centos, with compilator with ifort 11.1) since a few
weeks without any significant problem.
I converged successfully the system to -ec 0.00000001 and -cc 0.0001
without any problem.
However, I recently tried to minimize the positions of the atoms in the
cell.
During the procedure, after a few iterations, I get a SegFault in lapw2. I
was able to trace it back to the use of the -fc switch un run_lapw, which
causes this error - independently of the value set for the forces
convergence criteria.
Additionally, when I get this SegFault, the files are then corrupted and I
am unable to relaunch the calculation even after suppressing:
*broyd* and *vector. I am now very stuck and I might say a bit frustrated,
as I have no idea of where to look to solve it.

Any ideas of parameters/values to tests or modules to check are welcome.

I attached the *struct, and you can use the default setting for generating
in1 and in2.`

Regards,

Vivien Badaut
Computational Condensed Matter Physics Laboratory,
RIKEN, ASI, Japan
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