K points
Posted: Mon Mar 18, 2024 1:43 pm
How we can choose the K points for Supercell,If iam using 16*16*1 for the relaxation and scf and 18*18*1 for the DOS in Unitcell ,what should be the respective K points for the 4*4*1 super cell,how we can reduce the computing time choosing the optimal K points .also in band structure formation the band obtained from vaspkit and p4vasp showing different K point values (G M K G points mention in KLABEL dat file).
(but the graph structure and cbm and vbm are same).how to resolve these problems and make it a faster simulation
(but the graph structure and cbm and vbm are same).how to resolve these problems and make it a faster simulation