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Matter Modeling
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user1420303
  • Member for 5 years, 6 months
  • Last seen more than a month ago
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Top posts

question
20
Should I buy a CPU or a GPU for doing calculations?
May 18, 2020
question
5
Key points for studying surfaces intended for researchers on gas phase [closed]
May 18, 2020
question
5
Why am I getting a wrong lattice constant from these SIESTA calculations?
Oct 24, 2023
question
5
Large energy differences across successive geometry optimization steps in SIESTA
Dec 6, 2023

Top network posts

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14
DFT Functional Selection Criteria
13
Is it good practise to mix double and triple zeta basis sets?
13
What are the advantages of multipole expansion of potentials?
11
Publishing software in a convenient way
11
Why are correlation consistent basis sets used with DFT calculations?