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Phonon dispersion with Non-analytic corrections
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0
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13
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June 1, 2026
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Bug of ase.build.surface?
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5
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67
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May 21, 2026
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error in conversion of cube to xsf file
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1
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26
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May 12, 2026
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Ensemble or single seed for gold nanorod growth study
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2
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36
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May 5, 2026
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Question about unit specification in extxyz format
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1
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32
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April 26, 2026
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Is it not possible to optimize periodic structures in ASE using DFTB+ calculator?
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2
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55
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April 22, 2026
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Raman spectroscopy
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1
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320
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April 22, 2026
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A bug in write_espresso_in function
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2
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50
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April 19, 2026
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for parse of molden file
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0
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26
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March 12, 2026
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Issue with ASE's ORCA Output Parsing: Missing "CENTER OF MASS" Line Causes Dipole Moment Calculation Error
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0
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40
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January 11, 2026
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Use of ase convert from the command line
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1
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64
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December 8, 2025
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Units of ASE vib.H (Hessian) and vib.get_mode()
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1
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55
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December 8, 2025
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Doubt with phonon dispersion
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6
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114
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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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47
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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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60
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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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144
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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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55
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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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50
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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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79
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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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72
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August 4, 2025
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Issue reading POSCAR file
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5
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162
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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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72
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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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155
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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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848
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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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105
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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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928
|
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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52
|
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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750
|
May 10, 2025
|
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Layer creation problem in ASE
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4
|
135
|
April 29, 2025
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ase.io.cif.read_cif error
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0
|
53
|
April 14, 2025
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