[QE-users] Error in routine davcio (25):

[Collins Nganou]

Hello Everyone,

   I am trying to understand the reason behind the "Error in routine davcio (25):"in my calculation.
The error I am obtained is :


    Representation    23      2 modes -  To be done

    Representation    24      2 modes -  To be done



%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%
    Error in routine davcio (25):
    error writing file "GWW/TiO2.prd1"
%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%%

    stopping ...

Below is my input data after scf:

calculation of head
&inputph
 trans=.false.
 l_head=.true.
 tr2_ph=1.d-4,
 prefix='TiO2',
 omega_gauss=20.0
 n_gauss=97
 grid_type=5
 second_grid_i=1
 second_grid_n=10
 niter_ph=1
 nsteps_lanczos=30
 outdir='/GWW/TiO2/'
/


The file TiO2.prd1 to TiO2.prd48 already exists.

I used the development version 7.2.


I am looking forward to any suggestion.

Kind regards

Albert

Cape Breton University
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