[Pw_forum] changing the grid size in pp.x calculations

reza vatan rezavatan64 at gmail.com
Wed May 4 23:18:39 CEST 2016


Dear all,

I'm trying to generate a cube file format for the 3D charge density of a
system, but I have a problem to increase the number of grids in the
supercell. For instance espresso always give me a cube file with the grid
of 45X45X45, even when I change the nx, ny, and nz values. Could any one
please help me fix the problem?

The attachments are my scf and pp input files.

Thanks in advances.

Best,
Reza.

-----------------------------------------------------------
Reza Vatan
Electrical Engineering Department
Arizona State University.
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