[ERROR] "Bad operation Z singlets" for monoclinic structure

[flokno]

Command:

extract_forceconstants -rc2 0 | tee extract_forceconstants.log

fails with

...
 ... determined singlet nullspace
 ... determined pair nullspace
 ... determined dielectric tensor nullspace

 ERROR
 exit code 4: symmetry error

 Bad operation Z singlets

     occurs in file: lo_symmetry_of_interactions_nullspace.f90
     occurs on line: 979
        active rank: 0 out of 1
Note: The following floating-point exceptions are signalling: IEEE_OVERFLOW_FLAG
ERROR STOP 4

Error termination. Backtrace:

Input files:

inputs.zip

Output:

extract_forceconstants.log

[krishnarajmayya]

Hi @flokno,
I am facing a similar problem for my R3m structure. Error is in the same file but in different line.

########
ERROR
exit code 4: symmetry error

Bad operation singlets

 occurs in file: lo_symmetry_of_interactions_nullspace.f90
 occurs on line: 97
    active rank: 0 out of 1

##########

Did you find any solution to your problem?
Or do you know where is this file "lo_symmetry_of_interactions_nullspace.f90"?