Choosing hgrid parameter
Asked by
Asif Iqbal
Dear Developers,
What is tha optimum value for choosing hgrid parameter. As, I understood we can have a look at pseudo potential (PSP) files and look for "Rloc" and among those choose the minimum. But if we do that for Hydrogen it is 0.2 so every calculation will always be expensive. What is the correct approach? We can do the convergence analysis but how to know from the PSP files.
Question information
- Language:
- English Edit question
- Status:
- Answered
- For:
- BigDFT Edit question
- Assignee:
- No assignee Edit question
- Last query:
- Last reply:
Can you help with this problem?
Provide an answer of your own, or ask Asif Iqbal for more information if necessary.
To post a message you must log in.