MBJLDA band structure calculation
Posted: Tue Dec 17, 2013 11:13 am
Dear VASP users,
When using MBJLDA to calculate band structure, how to increase intersection points between high symmetry point.
After calculating SCF with metagga = true, I copy the IBZKPT to KPOINTS, then I add high symmetry k points to KPOINTS with zero weight. But, the obtained band plot is not smooth. I guess the intersection points is few.
yuanxu
When using MBJLDA to calculate band structure, how to increase intersection points between high symmetry point.
After calculating SCF with metagga = true, I copy the IBZKPT to KPOINTS, then I add high symmetry k points to KPOINTS with zero weight. But, the obtained band plot is not smooth. I guess the intersection points is few.
yuanxu