[xcrysden] Datagrid format

[Henri Hay]

Dear XCrySDen users,

Excuse me if my question has been asked before, I could not find any direct
answer to it.

I would like to plot the difference in charge density for three systems:
pristine graphene, p-doped graphene, and n-doped graphene. For that purpose
I thought I could subtract the  different charge densities and plot the
difference in order to see where the excess charge is located (if it is
delocalized or not, for instance) . But I have some trouble understanding
the Datagrid format, and in particular what is described on the XCrySDen
website as "5x5x5 datagrid values in column-major mode".

What does this part of the charge density data grid represent?

0.17727E+00  0.19333E+00  0.23076E+00  0.26773E+00  0.28800E+00  0.28904E+00

I am using PW of QE and the postprocessing tools to output the 3D charge
density.

Thank you for your help.

Best regards,

Henri
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