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Matter Modeling
Keith Refson's user avatar
Keith Refson's user avatar
Keith Refson's user avatar
Keith Refson
  • Member for 4 years, 7 months
  • Last seen more than a week ago
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14
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14
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17
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14
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Top posts
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18
Norm-Conserving or Ultrasoft, which pseudopotential to choose?
May 20, 2020
answer
17
How big should a supercell be in phonon calculations?
Jul 8, 2020
answer
16
Why does Quantum ESPRESSO need 13TB of RAM for a (3x3x3)nm supercell?
Dec 19, 2022
answer
6
Adjusting y-axis of CASTEP band structure plots
Feb 25, 2023
answer
3
CASTEP: Tools for extracting .castep output into OriginLab or similar programs for plotting
Jun 5
answer
3
Why converge energy vs. Ecut when k-points is the bottleneck?
Dec 4
answer
2
How to add a break into CASTEP k-point path
Jun 5