[Pw_forum] Dielectric constant

[Sohail Ahmad]

Dear QE users,

I wish to calculate dielectric constants and some other related properties.
I am getting following errors. My input file (scf and eps) are attached.
I am using QE-5.0.1
------------------------------------------------------------------------------------------------
 Fermi energy [eV] is: 12.49326
     The system is a metal...

     Performing eps calculation...

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine grid_build (1):
     USPP are not implemented
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

&inputpp
 prefix = 'ScN',
 outdir = './OUT',
 calculation = 'eps',
/
&ENERGY_GRID
 smeartype = 'gaussian',
 intersmear = 0.1,
 wmin = 0.00
 wmax = 10.00
 nw = 5000
/
--------------------------------
&control
  calculation = 'scf',
  restart_mode = 'from_scratch',
  prefix = 'ScN',
  pseudo_dir = '/home/sohail/Espresso/espresso-5.0.1/pseudo',
  outdir = './OUT',
 /
 &system
  ibrav = 2, a = 4.501, 
  nat = 2, ntyp = 2,
  ecutwfc = 250,
  ecutrho = 1000,
  nbnd = 20,
  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
Sc  44.956  Sc.pw91-nsp-van.UPF
N   14.007  N.pw91-van_ak.UPF
ATOMIC_POSITIONS {angstrom}
Sc  0.000000  0.000000  0.000000
N   2.250500  2.250500  2.250500
K_POINTS AUTOMATIC
12 12 12 1 1 1

--------------------------------------------------------------------- 
SOHAIL AHMAD
KING KHALID UNIVERSITY
SAUDI ARABIA