Matter Modeling
Ian Bush's user avatar
Ian Bush's user avatar
Ian Bush's user avatar
Ian Bush
  • Member for 3 years, 4 months
  • Last seen this week
  • United Kingdom
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Top posts
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All Questions Answers
Score Newest
answer
15
Doubt about energy convergence with different k points
Sep 28, 2021
answer
9
DFT code for simulating thousands of atoms in a supercell
May 13, 2022
answer
9
How to build cartesian representations of spherical Gaussian basis functions?
May 22, 2022
answer
8
How to calculate a structure factor from a radial distribution function?
Mar 24, 2022
question
6
Meaning of Kronecker Product in Transport Theory behind BoltzTrap2
May 29, 2022
answer
4
Invalid MIT-MAGIC-COOKIE-1 keyNote when working with mpirun
Feb 2
answer
2
Symmetric issue about the Gaussian basis Hamiltonian
Aug 17
answer
2
Increase in SCF energy on first step
Sep 5
answer
1
SIESTA Compilation
Jul 4, 2022
answer
1
QUANTUM ESPRESSO, How to force ./configure to use intel oneAPI compilers?
Aug 15, 2022
Top network posts
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39
Please help solve this endgame problem posed by a friend
29
Can the king step into stalemate?
26
Can you solve this chess problem of a lone knight against numerous opposing pieces?
24
Why do chess coaches encourage their students to play stronger players?
19
Why should I use "use, only" in Fortran

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