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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