DENCHAR Calculation

Dear All,
I was performing a charge density calculation using DENCHAR. The program was properly executed.
While performing the analysis of the RHO.cube and .DRHO.cube files in VESTA and Xcrysden, I was amazed to see the number of atoms to be totally different from the initial input .fdf file.
Is there any proper way to check this kind of errors?
I tried changing

  1. MinX,Y,Z, MaxX,Y,Z by checking the atomic coordinates values and setting it to that value.
  2. I also tried with +_10 angstrom and some higher and lower limits at MinX,Y,Z, MaxX,Y,Z.
    But I was facing the same issue.
    Any suggestions would be highly appreciated.

Dear Bhanu,

It is difficult to advise on your problem without seeing your files. However, you might experience this problem because of the use of non-orthogonal cell.

Could you attach the head of your siesta input file, denchar input and head of cube file - it would help to identify the problem.