[Pw_forum] Error in Epsilon.x

[Manu Hegde]

Hello All,
I was trying to perform epsilon.x calculations in case of anatase TiO2 (QE
6.1). The SCF calculations went well (I did not use automatic k-points as
suggested in the manual). But when I performed epsilon.x i go the following
error,

 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
     Error in routine pw_readfile (1):
     error opening xml data file
 %%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...
^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^@^$



Here is my input data for epsilon.x,

&inputpp
    outdir='/work/mhegde/tmp_hy/'
    prefix='tioan'
    calculation='eps'
 /
 &energy_grid
    smeartype='gauss'
    intersmear=0.136d0
    intrasmear=0.0d0
    wmax=30.0d0
    wmin=0.0d0
    nw=600
    shift=0.0d0
 /
Thanks and Regards,
Manu
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