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Andrew Rosen

See https://asrosen.com/ for more about me.

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29 What are the positives and negatives of periodic DFT codes that don't use plane-wave basis sets? May 1 '20
25 What is the largest material that has been studied using density functional theory? May 1 '20
23 Enforce a space group on a given crystal structure May 2 '20
22 What are some materials discovered from first-principles calculations that ended up being incorporated in a commercial product? May 1 '20
21 k-points and ENCUT convergence tests before or after relaxation? Aug 2 '20
21 Available methods and codes for materials discovery / crystal structure prediction? May 1 '20
20 What are good ways to reduce computing time when working with large systems in VASP? May 1 '20
20 Why do we have so many DFT codes (softwares)? Are they redundant? May 1 '20
18 What are some servers that are able to host and share our research data? May 3 '20
17 I am a beginner in DFT. What are some resources that could help me to learn the basics? May 23 '20
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