[Wien] IRelast creates incorrect structure file

[Nestoklon Mikhail]

Dear wien2k community,
I am trying to compute the elastic constants of a tetragonal crystal and it
seems that IRelast creates an incorrect structure file for the c44 case.

The error is
"
Tolerance parameter to check ROUNDING PROBLEM is 0.1
|90-alpha|=   0.012886
|90-beta |=  28.937349

 ----> ROUNDING PROBLEM.
 Due to the limited digits of certain numbers rounding problem may cause.
 STOP...----> ROUNDING PROBLEM. generated struct file is not valid.
"

The rest 6 distorsions work correctly.

The original structure and distorted struct file for c44 calculation are in
attachment. Probably I will find a way to resolve this issue by changing
the structure file "by hand", but I believe this should not have
happened in the first place.

The question is whether there is a regular way to resolve this issue?

Thank you in advance.

Sincerely yours,
Mikhail Nestoklon
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