[Pw_forum] epsilon calculation

[Olga Sedelnikova]

Dear PWScf Users,
I try to do the dielectric tensor calculations. At first I did the
scf-calculation after that I used the code epsilon.x. This code didn't find
files created by the scf calculation (*.save in outdir).
Why such a problem occurs?

My input files is as following:

: scf

  &CONTROL
    calculation='scf'
    restart_mode='from_scratch',
    prefix='gr'
    pseudo_dir = '/home/olya/espresso-4.0.3/pseudo/',
    outdir='/home/olya/espresso-4.0.3/work/eps/tmp/'
  /
   &SYSTEM
     ibrav = 0,
     celldm(1)= 1.0
     nat = 4,
     ntyp = 1,
     ecutwfc = 16.0,
     nbnd = 16,
   /
   &ELECTRONS
     conv_thr =  1.0d-8
     mixing_beta = 0.7
   /
   ATOMIC_SPECIES
   C 12.011000  C.pz-vbc.UPF
   CELL_PARAMETERS
   4.0279528  2.325539  0.000000
   4.0269528 -2.325539  0.000000
   0.000000   0.000000 12.62333
   ATOMIC_POSITIONS angstrom
   C     0      0.00000  0.000000
   C  0.333333   0.3333333  0.000000
   C  0.000000     0.000000   0.5000000
   C     0.6666666666    -0.3333333  0.5000000
K_POINTS {automatic}
18 18 18 0 0 0

: epsilon

&inputpp
    outdir='home/olya/espresso-4.0.3/work/eps/tmp/'
    prefix='gr'
    calculation='eps'
/
&energy_grid
    smeartype='gauss'
    intersmear=0.1360d0
    intrasmear=0.0d0
    wmax=30.0d0
    wmin=0.0d0
    nw=600
    shift=0.0d0
/

error:

     from pp_check_file : error #         2
     file home/olya/espresso-4.0.3/work/eps/tmp/gr.save not found



Thank you.

Best wishes,
Olga
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