Hybrid HSE06 KPOINTS SYMMETRY
Posted: Tue Nov 03, 2015 6:32 am
Hello admin,
I am trying to do calculate the bandstructure of CdS. When I do not use any hybrid functional, vasp uses symmetry to reduce the number of kpoints and uses only the irreducible Briilioun zone points. However, with the same INCAR and KPOINTS file and just adding the hybrid flags causes VASP not to use any symmetry in kpoints at all. I am wondering if this is normal or is there something that I am doing wrong?
Thank for your help in advance.
INCAR:
mytitle
IBRION = -1
ENCUT = 275
ISMEAR = 0
SIGMA = 0.01
PREC = Accurate
NSW = 0
NELMIN = 1
ALGO = All
TIME = 0.4
LSORBIT = .TRUE
LHFCALC = .TRUE.
HFSCREEN = 0.2
PREFOCK = Fast
I am trying to do calculate the bandstructure of CdS. When I do not use any hybrid functional, vasp uses symmetry to reduce the number of kpoints and uses only the irreducible Briilioun zone points. However, with the same INCAR and KPOINTS file and just adding the hybrid flags causes VASP not to use any symmetry in kpoints at all. I am wondering if this is normal or is there something that I am doing wrong?
Thank for your help in advance.
INCAR:
mytitle
IBRION = -1
ENCUT = 275
ISMEAR = 0
SIGMA = 0.01
PREC = Accurate
NSW = 0
NELMIN = 1
ALGO = All
TIME = 0.4
LSORBIT = .TRUE
LHFCALC = .TRUE.
HFSCREEN = 0.2
PREFOCK = Fast