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Matter Modeling
R Walser's user avatar
R Walser's user avatar
R Walser's user avatar
R Walser
  • Member for 1 year, 9 months
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Si hoc legere scis, nimium eruditionis habes.

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9
How to determine dimensionality of a structure with pymatgen?
May 29, 2023
question
4
Isotropy of Pymatgen Structures
Sep 21, 2023
question
4
Pymatgen structure to rdkit molecule
May 5, 2023
question
4
Diagnosing faulty bands calculation
Apr 21
question
4
How to estimate TFLOPS for calculation in Quantum Espresso?
Jul 4
question
3
Generating Bloch State from Kohn Sham States in Quantum Espresso
Jul 16
question
3
Removing Smearing Effect from a Parameter Computation
Jan 12
question
2
Quantum Espresso log shows no iterations [closed]
Dec 7, 2022
question
2
Unit cell size for phonon modes
May 10