different electric field has same results
Posted: Sat Jun 14, 2014 5:36 pm
Hello,
I apply electric field to silicene (graphene-like Si). The system is modeled by a slab with vacuum along z direction. I use LDIPOL=.T. IDIPOL=3 and EFIELD=-0.2 (-0.1, 0.1 and 0.2) to apply electric field according to the vasp manual. The structure, band structure and dos are exactly same for different values of EFIELD in both relaxation and static calculations. The following is my INCAR. Can anyone help me?
ISTART=0
ICHARG=2
ISPIN=2
PREC=N
NPAR=4
NELM=100
ALGO=N
LREAL=.F.
EDIFF=1E-6
LVDW=.T.
VDW_RADIUS=14
LDIPOL=.T.
IDIPOL=3
EFIELD=0.1
IBRION=-1
NSW=0
ISIF=3
ENCUT=350
EDIFFG=-3E-2
ISMEAR=-5
SIGMA=0.1
I apply electric field to silicene (graphene-like Si). The system is modeled by a slab with vacuum along z direction. I use LDIPOL=.T. IDIPOL=3 and EFIELD=-0.2 (-0.1, 0.1 and 0.2) to apply electric field according to the vasp manual. The structure, band structure and dos are exactly same for different values of EFIELD in both relaxation and static calculations. The following is my INCAR. Can anyone help me?
ISTART=0
ICHARG=2
ISPIN=2
PREC=N
NPAR=4
NELM=100
ALGO=N
LREAL=.F.
EDIFF=1E-6
LVDW=.T.
VDW_RADIUS=14
LDIPOL=.T.
IDIPOL=3
EFIELD=0.1
IBRION=-1
NSW=0
ISIF=3
ENCUT=350
EDIFFG=-3E-2
ISMEAR=-5
SIGMA=0.1