- #1
AJ007
- 2
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Hello fellow physicist,
I'm new on this subject, I hope that you can help me clear some stuff out.
If I have 2 basis sets; A containing 100 basis functions and B containing 50 basis functions, for which one of them will a DFT calculation be faster?
Also, is a DFT calculation using basis sets A, more accurate than if it uses B?
Very thankful,
Best regards
AJ
I'm new on this subject, I hope that you can help me clear some stuff out.
If I have 2 basis sets; A containing 100 basis functions and B containing 50 basis functions, for which one of them will a DFT calculation be faster?
Also, is a DFT calculation using basis sets A, more accurate than if it uses B?
Very thankful,
Best regards
AJ
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