VASP error when trying to do calculations in the presence of an electric field

Question

I am trying to observe the effect of the electric field on 2D materials. I applied electric field by introducing three tags:

LDIPOL = .TRUE.
IDIPOL = 3   # for Z direction
EFIELD = X   # eV/A**

in INCAR, first in SCF and then in band structure calculation (NSCF).

Those are the same three lines (except in a different order), as what Tristan Maxson suggested in his answer to: Electric Field Calculations in VASP

But I could not get the reported results. Am I doing something wrong?

I am not getting any error, I am just unable to report the published data.

I applied electric field on stanene. After relaxing stanene with ISIF =4, I used EFIELD tags in sc and then in bands (ISTART =1, ICHARG = 11) calculations. For zero electric field, I am getting bandgap around 73.6 meV which is the same as reported. But as the electric field increases, the mismatch between values occurs. Like for E = 0.001eV/A, I am getting 71.1 meV and the reported one is 76.3 meV. For E = 1.0eV/A, I get 66.216 meV, and reported one is 318.3 meV

POSCAR:

Sn

   1.0000000000000000

     4.6730959813628878   -0.0000000228025768   -0.0000000000000001
     2.3365474619415303    4.0470201968368267    0.0000000000000001
    -0.0000000000000006    0.0000000000000005   19.2995674192802440
   Sn
    
    2

Direct

 -0.0000000000000000  0.0000000000000000  0.4986167295676965    
  0.3333332607201882  0.3333333333333357  0.4545313204323064
  0.00000000E+00      0.00000000E+00      0.00000000E+00
  0.00000000E+00      0.00000000E+00      0.00000000E+00
                                                 

Answer 1

I assume that you have relaxed your geometry structure and can perform the VASP calculation. And I support the necessary input cards for SCF and NSCF calculations below.

• SCF calculation to obtain the converged charge density and wavefunction:

  #General:
  ISTART=0
  ICHARG=2
  ENCUT=450
  EDIFF=1E-9
  NELM=300
  ISMEAR=-5
  #SIGMA=0.05
  IALGO=38
  
  #Electric Field:
  IDIPOL=3
  LDIPOL=.TRUE.
  EFIELD=0.2    # eV/Angstrom
  

• NSCF calculation to obtain bandstructure by reading previous charge density:

  #General:
  ISTART=0
  ICHARG=11
  ENCUT=450
  EDIFF=1E-9
  NELM=300
  ISMEAR=0
  SIGMA=0.05
  IALGO=38
  
  #Electric Field:
  IDIPOL=3
  LDIPOL=.TRUE.
  EFIELD=0.2    # eV/Angstrom
  

Hope it helps.