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Biblical Hermeneutics
Phil Hasnip's user avatar
Phil Hasnip's user avatar
Phil Hasnip's user avatar
Phil Hasnip
  • Member for 1 year, 2 months
  • Last seen more than a week ago
  • UK
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I am a research software engineer, computational physicist and author of the CASTEP software package (www.castep.org). CASTEP is a materials modelling program based on a reformulation of quantum mechanics known as density functional theory.

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27
Why do we have so many DFT codes (softwares)? Are they redundant?
20
What are the freely available crystal-structure visualization softwares?
18
How should one choose the time step in a molecular dynamics integration?
17
What are the positives and negatives of periodic DFT codes that don't use plane-wave basis sets?
13
Does the size of atoms influence the speed of DFT calculations when comparing systems with almost the same number of atoms