Extracting Charge Density

ABACUS can output the charge density by adding the keyword out_chg in INPUT file:

out_chg             1

After finishing the calculation, the information of the charge density is stroed in files OUT.${suffix}/SPIN${spin}_CHG. At the same time, the files with the same name and with the suffix ‘.cube’ wilL be outputed, and can be used to do visualization.
The SPIN${spin}_CHG file looks like:

 1 0 0
 0 1 0
 0 0 1
 Fe1 Fe2
 1 1
 0 0 0
 0.5 0.5 0.5

  0.915564 (fermi energy)
  27 27 27

 6.63608279258e-01 8.42291750502e-01 1.16305511314e+00 1.18317627770e+00 8.03596207480e-01 3.76685921988e-01 1.43138520280e-01 5.93331483316e-02
 3.22553088343e-02 2.07904703287e-02 1.50998149986e-02 1.26952816838e-02 1.15435826326e-02 1.08144612206e-02 1.08144612206e-02 1.15435826326e-02

The first 5 lines are the informations of lattice, in order:
 lattice name (if keyword latname is not specified in INPUT, this will be “test”),
 lattice constance with unit in angstrom,
 lattice vector a,
 lattice vector b,
 lattice vector c.
The following lines are about the elements and coordinates, in order: all elements, the atom number of each elements, the type of coordinate, the coordinates.
After a blank line, the output is the values of NSPIN and fermi energy.
The following line is the number of grid along x/y/z, and the rest lines are the value of charge density at each grid.

The examples can be found in examples/charge_density