[Pw_forum] Charge Density Difference Calculation problem

luca maggi maggi_luca at hotmail.it
Thu Dec 17 10:32:04 CET 2015


Dear All,
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.
The input file for getting the difference  is :

&inputpp
/
 &plot
  iflag = 3 ,
  nfile = 2                   ,
  filepp(1) = 'slub_no_hubb.charge' ,weight(1) = -1.0
  filepp(2) = 'slub_hubb.charge' , weight(2) =  1.0
  output_format =3            ,
  nx = 100 ,
  ny = 100 ,
  nz = 100 ,
  fileout= 'cdd.dat' ,
/
 and the error is :

Serial version
     Reading header from file  slub_no_hubb.charge
At line 119 of file plot_io.f90 (unit = 4, file = 'slub_no_hubb.charge')
Fortran runtime error: Bad integer for item 1 in list input

Anynone may help me ?

Best regards

Luca Maggi

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