I was trying to obtain the unfolded constant energy plane for a CDW material and encountered the following error:
In WT.out, the relation between the prime lattice and superlattice was extracted without any problem. In the error message, positions of the first seven atoms were printed out in the reduced atoms position. Can someone help me with this? Thanks!
Dear developers and users,
I was trying to obtain the unfolded constant energy plane for a CDW material and encountered the following error:
In WT.out, the relation between the prime lattice and superlattice was extracted without any problem. In the error message, positions of the first seven atoms were printed out in the reduced atoms position. Can someone help me with this? Thanks!