Research output: Contribution to journal › Article › peer-review
A method is proposed for constructing appropriate sets of special points in the Brillouin zone in which the extended unit cell method is used with a subsequent shift from the center of the reduced Brillouin zone. The proposed method offers several advantages over the commonly used Monkhorst-Pack method. The difference in the construction of sets of special points for the direct and reciprocal lattices is discussed for crystals belonging to a nonsymmorphic space group. The cases of a planar square lattice and an fee lattice are considered to illustrate general results.
| Original language | English |
|---|---|
| Pages (from-to) | 1213-1224 |
| Number of pages | 12 |
| Journal | Physics of the Solid State |
| Volume | 46 |
| Issue number | 7 |
| DOIs | |
| State | Published - Jul 2004 |
ID: 84354365