GiacomoAmbrogio Great! It works now! Thanks a lot!

heimurinn
@heimurinn
Posts
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problems with the calculation of hexagonal structures -
problems with the calculation of hexagonal structuresHello everyone!
I have a systematic problem with the calculation of different hexagonal structures. Seems that the group and the geometry is interpreted correctly in all the cases however, there is the same problem on the step "SYMMETRY ADAPTION OF THE BLOCH FUNCTIONS".
I`ve tried to change the BIPOSIZE & EXCHSIZE values smaller/larger; to vary the points of the k-space so that "DISK SPACE FOR EIGENVECTORS" becomes lower, however seems that the solution lies somewhere else.
Below are some examples of initial & output files with the same problem.
Can you hep me to fix it?
Thanks in advance.