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<p><span id="ms-rterangepaste-start"></span>Dear All, <br>
I'm trying to calculate the charge density difference between the same structure with and without the hubbard correction term. I have calculated already the charge density for the two structure.
<br>
The input file for getting the difference is :<br>
<br>
&inputpp<br>
/<br>
&plot<br>
iflag = 3 ,<br>
nfile = 2 ,<br>
filepp(1) = 'slub_no_hubb.charge' ,weight(1) = -1.0<br>
filepp(2) = 'slub_hubb.charge' , weight(2) = 1.0 <br>
output_format =3 ,<br>
nx = 100 ,<br>
ny = 100 ,<br>
nz = 100 ,<br>
fileout= 'cdd.dat' ,<br>
/<br>
and the error is :<br>
<br>
Serial version<br>
Reading header from file slub_no_hubb.charge<br>
At line 119 of file plot_io.f90 (unit = 4, file = 'slub_no_hubb.charge')<br>
Fortran runtime error: Bad integer for item 1 in list input<br>
<br>
Anynone may help me ?<br>
<br>
Best regards <br>
<br>
Luca Maggi<br>
<span id="ms-rterangepaste-end"></span><br>
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