PAO.BasisSize for TZP
Asked by
rezabma
on 2019-06-10
Hi
It is a good idea to include TZP in the code. I know with block format we can change the size, but the TZP in chemistry is largely used. In addition, introducing a keyword for DZP+diffuse.
Thanks
Reza
Question information
- Language:
- English Edit question
- Status:
- Solved
- For:
- Siesta Edit question
- Assignee:
- No assignee Edit question
- Solved by:
- Nick Papior
- Solved:
- 2019-06-12
- Last query:
- 2019-06-12
- Last reply:
- 2019-06-11
|
#1 |
Actually that is already available in the code. The following sizes are available:
SZ
SZP
DZ
DZP
DZP2 -- two polarization orbitals
TZ
TZP
TZP2
TZP3
We will amend the documentation. Thanks.
rezabma (rezabma) said : | #2 |
Thanks Nick Papior, that solved my question.
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