My Community

Hi everybody

I have been trying to use the command LCALCPOL in VASP in order to calculate the macroscopic polarization of a "polymer on graphite surface" system. The INCAR is as follows:

LPLANE=.TRUE.
NPAR = 1
NSIM = 4
SYSTEM = graphene_rez1_SYM (VASP)
PREC = High
ENCUT = 950.000
IBRION = -1
NSW = 0
ALGO = Normal (blocked Davidson)
NELM = 60
NELMIN = 2
EDIFF = 1.0e-05
EDIFFG = -0.02
VOSKOWN = 1
NBLOCK = 1
ISPIN = 1
INIWAV = 1
ISTART = 0
ICHARG = 2
LWAVE = .FALSE.
LCHARG = .TRUE.
ADDGRID = .FALSE.
ISMEAR = 1
LCALCPOL=.TRUE.
DIPOL = 0.5 0.5 0.5
SIGMA = 0.2
LREAL = A % AUTO
RWIGS = 0.77 0.546 0.549 0.472 % C O N H
ISYM=0 % Symmetry off


But I am getting the error: "GENERATE_KPOINTS_TRANS: number of G-vector changed in star "

I'm not sure what is going wrong. I'll really appreciate if someone please suggests me any solution to this problem.

Thanks in advance

Hi,

We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.

Best wishes,

VASP