Антон Л. tenebrosu... at
Tue Jun 5 09:32:24 UTC 2018

Dear colleagues,

I try to apply CDFT tutorial to my systems and wonder about the meaning of
ADJUST_SIZE variable.

In the reference manual:
"ADJUST_SIZE {Logical}
Adjust Becke cell boundaries with atomic radii to generate a heteronuclear
cutoff profile. These radii are defined with the keyword ATOMIC_RADII.
This keyword cannot be repeated and it expects precisely one logical.
The lone keyword behaves as a switch to .TRUE.
Default value: .FALSE."

However, the CDFT tutorial ( ) explicitly

How the program will behave if ADJUST_SIZE is set to FALSE and to TRUE?
What is the difference?

Thanks in advance.

Yours sincerely,
Anton Lytvynenko.
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