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Matter Modeling
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flokno
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5
ASE: Shape mismatch when using FrechetCellFilter filter
Oct 24, 2023
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3
Fitting of Brich-Murnaghan equation of state
Nov 20, 2023
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2
Why dipole correction does not work in VASP DFPT + phonopy calculation for a stable 2D material
Oct 24, 2023
answer
2
Ionic relaxation with ASE (Atomic Simulation Environment)
Oct 24, 2023