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I am having a problem with generating the POSCAR-slab file. After calculating surface state, it outputs a POSCAR-slab file (together with other files), but all of the atomic positions in my POSCAR-slab file are NaN in every direction. It seems like other files were not affected; surfdos_l, surfdos_r and other files do not have any error. What could be the reason for this error? And is the calculated surface state still reliable?
Thank you!
The text was updated successfully, but these errors were encountered:
Dear developers,
I am having a problem with generating the POSCAR-slab file. After calculating surface state, it outputs a POSCAR-slab file (together with other files), but all of the atomic positions in my POSCAR-slab file are NaN in every direction. It seems like other files were not affected; surfdos_l, surfdos_r and other files do not have any error. What could be the reason for this error? And is the calculated surface state still reliable?
Thank you!
The text was updated successfully, but these errors were encountered: