### What is the default radial grid for DFT in DALTON?

Posted:

**21 Jul 2015, 09:10**Hi all,

I've been trying to compare some PSI4 DFT calculations with DALTON results.

From the DALTON manual is extremely clear how to modify all the radial and angular grid parameters (page 272, under the "*DFT INPUT" section)

However, the default radial grid and default partitioning scheme are not specified. The information on the grid generation strategy (both radial and angular)

is also nowhere to be found within the output file.

So, as from the subject: What is the default radial grid for DFT in DALTON?

Also, how many radial points are used in the radial grid when .RADINT has its default value of 1.0e-13?

Thanks a lot in advance!

I've been trying to compare some PSI4 DFT calculations with DALTON results.

From the DALTON manual is extremely clear how to modify all the radial and angular grid parameters (page 272, under the "*DFT INPUT" section)

However, the default radial grid and default partitioning scheme are not specified. The information on the grid generation strategy (both radial and angular)

is also nowhere to be found within the output file.

So, as from the subject: What is the default radial grid for DFT in DALTON?

Also, how many radial points are used in the radial grid when .RADINT has its default value of 1.0e-13?

Thanks a lot in advance!