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How are the settings of dftd?
Date: 2025/06/02 19:24
Name: dena   <daa58768199@gmail.com>

Hello everyone
I would like to use your experiences regarding the settings dftD of the input file.
Is the selection dependent on the type of structure?dftD2 or dftD3
Is there a connection between scf.energycutoff whith DFTD.rcut_dftD?
what basis is the value of  DFTD.rcut_dftD determined  ?
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Re:  How are the settings of dftd? ( No.1 )
Date: 2025/06/02 21:11
Name: dena  <daa58768199@gmail.com>

Hello again
Another question on the same subject DFTD.rcut_dftD
Is it in Angstroms? Does the periodic structure depend on the dimensions of the unit cell?
For example, if the dimensions of the unit cell are 20*20*20, should the value of DFTD.rcut_dftD be set to less than 20?
How is the default value of 100 determined?
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