Research output: Contribution to journal › Article › peer-review
Modified Monkhorst-Pack (MMP) special points meshes for Brillouin zone integration are proposed for cubic crystals. The MMP meshes suggested ensure the higher precision of k-points summation and faster and regular convergence of the results of the self-consistent calculations of the electronic structure of crystals. The efficiency of MMP meshes is demonstrated by DFT-GGA (density functional theory - generalized gradient corrections) calculations of SiC crystal.
| Original language | English |
|---|---|
| Article number | 233101 |
| Pages (from-to) | 1-4 |
| Number of pages | 4 |
| Journal | Physical Review B - Condensed Matter and Materials Physics |
| Volume | 70 |
| Issue number | 23 |
| DOIs | |
| State | Published - Dec 2004 |
ID: 84354597