Hi, Can anyone tell me the correct way to do band structure in SIESTA? In other plane-wave codes (like PWSCF), the band-structure is calculated from a non-selfconsistent calculation using a converged charge density from a previous selfconsistent calculation. I wonder if it's the same case for SIESTA. I didn't find any relevant information on non-selfconsistent calculation with SIESTA.
Any help is appreciated! Thanks, ------------------------------------------------------- Hui Tang Dept. of Applied Physics Yale University
