The ABINIT Users Mailing List ( CLOSED )

[tfl03@mails.tsinghua.edu.cn]

Dear developers/users:

    I had used the cut3d command to produce a charge density file 
from _DEN flie. And my choice was
        8 => 3D data with coordinates (tecplot ASCII format)

   After imaging the charge density, I found that the coordinates 
data have the unit of Angstrom, but the charge density data have 
the unit of bohr by comparing the Max el dens= **.** el/bohr^3 
in .out file with that in the file given by cut3d.

    If my finding was right, it seems need to make a tansformation: 
1 ele/bohr^3 = 1/0.529^3 = 6.7551 ele/Angstrom^3. I am wondering 
there is same problem in charge density files with other choices.

    If some other users find the same thing, please inform me.

                                           F. L. Tang