[Pw_forum] problems using pp.x

[Fengjie Ma]

Hi all,

When I used pp.x to analyse and plot data after "scf" and "nscf", I met some
problems:

1.  The INPUT is:

------------------------------------------------------------------------------
    &inputpp
      prefix  = 'ttt_relax',
      outdir = '/home.snfs/fjma/tmp_test/tmp_test/',
      filplot = 'test',
      plot_num = 3
    &
    &plot
    nfile = 1 ,
    filepp(1) = 'test' ,
    weight(1) = 1.0 ,
    iflag = 2 ,
    output_format = 2,
    fileout = 'test.rho.dat',
    x0(1) =0.0, x0(2)=0.0, x0(3)=0.0,
    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,
    e2(1) =0.0, e2(2)=1.0, e2(3) = 0.0,
    nx=20, ny=20
    &

--------------------------------------------------------------------------------

    and the error is :


--------------------------------------------------------------------------------
     nbndx  =    40  nbnd   =    40  natomwfc =    66  npwx   =   23472
     nelec  =  66.00  nkb   =   132  ngl    =   13548

     Calling punch_plot, plot_num =   3
     IOS = **


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
        from davcio : error #        10
        i/o error in davcio

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

--------------------------------------------------------------------------------

2. The INPUT is:


------------------------------------------------------------------------------
    &inputpp
      prefix  = 'ttt_relax',
      outdir = '/home.snfs/fjma/tmp_test/tmp_test/',
      filplot = 'test',
      plot_num = 7,
      kpoint= 26,
      kband= 33,
    &
    &plot
    nfile = 1 ,
    filepp(1) = 'test' ,
    weight(1) = 1.0 ,
    iflag = 2 ,
    output_format = 2,
    fileout = 'test.rho.dat',
    x0(1) =0.0, x0(2)=0.0, x0(3)=0.0,
    e1(1) =1.0, e1(2)=0.0, e1(3) = 0.0,
    e2(1) =0.0, e2(2)=1.0, e2(3) = 0.0,
    nx=20, ny=20
    &

--------------------------------------------------------------------------------

    and the error is :


--------------------------------------------------------------------------------
     nbndx  =    40  nbnd   =    40  natomwfc =    66  npwx   =   23472
     nelec  =  66.00  nkb   =   132  ngl    =   13548

     Calling punch_plot, plot_num =   7
     IOS = **


%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
        from davcio : error #        10
        i/o error in davcio

%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

     stopping ...

--------------------------------------------------------------------------------


Thanks for your help.

Yours,
Ma
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