Matter Modeling
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Alfred's user avatar
Alfred's user avatar
Alfred
  • Member for 3 years, 3 months
  • Last seen more than 1 year ago
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All Questions Answers
Score Newest
question
29
How big should a supercell be in phonon calculations?
Jul 7, 2020
question
14
How can I scan the whole PES of a bulk structure?
Jun 30, 2020
question
14
What does it mean if a strictly optimized experimental geometry presents imaginary frequencies?
Aug 4, 2020
question
14
How to create a 3D band structure from DFT band structure calculation?
May 14, 2021
question
11
Band structure with additive dispersion methods
Sep 17, 2020
question
10
Are QMC calculations practical for periodic structure calculations?
Sep 13, 2020
question
10
I have access to 1000 cores across 10 nodes, what would be the best way to prallelize an MP2, GW, or RPA calculation for a periodic system in VASP? [closed]
Sep 20, 2020
question
10
How does MBD (MBD-NL) differ from DFT-TS?
Sep 21, 2020
question
10
What are the methods that can be used to ensure that an optimized geometry is a local minimum?
Aug 1, 2020
question
9
Suggested cutoff for high level VASP calculations
Oct 8, 2020

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