[Pw_forum] dielectric constant

[Sohail Ahmad]

Dear All 
I wish to calculate the dielectric constant of monolayer of ZrS2 using QE 5.0.1.
At first step, i run scf and then epsilon.x 
but i am getting error as follows
NON UNIFORM kpt grid
i used 4 4 1
------------input files are attached for reference
------------------------------------------------------------------------------------------------------------
 Fermi energy [eV] is: -1.26295
     The system is a metal...

     Performing eps calculation...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine grid_build (2):
     non unifrom kpt grid
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
--------------------------------------------------------------------------------------------------------
ZrS2m.scf.in

&control
  calculation = 'scf',
  restart_mode = 'from_scratch',
  prefix = 'ZrS2m',
  pseudo_dir = '/home/sohail/Espresso/espresso-5.0.1/pseudo',
  outdir = './OUT',
  wf_collect = .true.
  tprnfor = .TRUE.
  nstep = 5000
 /
 &system
  ibrav = 4, a = 3.75, b = 3.75, c = 15.0,
  nat = 3, ntyp = 2,
  ecutwfc = 75,
  ecutrho = 300,
  nbnd = 50,
  occupations = 'smearing', smearing = 'gaussian', degauss = 0.001,
  nspin = 2,
  starting_magnetization(1) = 0.1d0,
 /
 &electrons
  mixing_beta = 0.3,
  conv_thr = 1.0d-9,
 /
ATOMIC_SPECIES
Zr  91.22  Zr.pbe-mt_fhi.UPF
S   32.06  S.pbe-mt_fhi.UPF
ATOMIC_POSITIONS {Angstrom}
Zr  0.000000000  0.000000000  0.000000000
S  -0.000000018  2.113679346  1.383970000
S   1.830500018  1.056839657 -1.383970000
K_POINTS AUTOMATIC
4 4 1 1 1 1
----------------------------------------------------------------------------------------------
ZrS2m.eps.in

&inputpp
 prefix = 'ZrS2m',
 outdir = './OUT',
 calculation = 'eps',
/
&ENERGY_GRID
 smeartype ='gaussian',
 intersmear = 0.1
 wmin = 0.00
 wmax = 15.00
 nw = 5000
/

-----------------------------------------------------------------------
Sohail Ahmad
King Khalid University
Saudi Arabia