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Doubt with phonon dispersion
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6
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34
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October 30, 2025
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Get dipole moment per unit cell in a supercell
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0
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14
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October 27, 2025
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applying biaxial strain in cubic system
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1
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18
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October 3, 2025
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How should I rattle an ASE Atoms object to improve convergence in DFTB+?
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1
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47
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August 27, 2025
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ASE@psi-k get-together
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0
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35
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August 26, 2025
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ASE website moved to https://ase-lib.org
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0
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27
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August 8, 2025
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How to build a MoS2 nanotube using ase?
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1
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22
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August 4, 2025
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Terminating a minimization based on condition
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2
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26
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August 4, 2025
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Issue reading POSCAR file
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5
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87
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July 25, 2025
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Combined dynamics module in ASE
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4
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21
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July 16, 2025
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Compute electrostatic energy of lattice by Ewald sumation?
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4
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67
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July 16, 2025
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Calculator wrapper for g-xTB
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4
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357
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July 15, 2025
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How does FixSymmetry command work?
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1
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35
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July 15, 2025
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ValueError: One or more NEB images share the same calculator. DFTB calculator
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5
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857
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July 14, 2025
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Permission Denied to read/write a .traj file in the tutorial
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1
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19
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June 10, 2025
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Overwriting ASE Calculator Results and Saving Results to a Trajectory File
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3
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645
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May 10, 2025
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Layer creation problem in ASE
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4
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79
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April 29, 2025
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ase.io.cif.read_cif error
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0
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29
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April 14, 2025
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Running classical MD simulation with ASE
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0
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33
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April 13, 2025
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Typo of Inhomogenous_NPTBerendsen
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0
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21
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March 13, 2025
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ASE read/write lammps-data
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0
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152
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March 11, 2025
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Parallelise MACE calculator
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5
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770
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February 26, 2025
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Minima Hopping with Vasp, error in MD initiation
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1
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88
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February 19, 2025
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Quantum Espresso command line in updated versions of ASE.
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0
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61
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January 10, 2025
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Imaginary rotational and translational modes
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1
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36
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January 2, 2025
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Read extxyz in ase v. 3.23.0
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5
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472
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December 18, 2024
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Using Phonons.run after single-point calculation in Quantum Espresso - PropertyNotImplemented Error
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3
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103
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December 11, 2024
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ASE+ALAMODE for structure optimization
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2
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38
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December 9, 2024
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`AssertionError` in `LAMMPSlib` with ASE during Potential Energy Calculation
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0
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41
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December 6, 2024
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Error using the lammpsrun calculator in the Python ASE module
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6
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126
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December 5, 2024
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