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error in conversion of cube to xsf file
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0
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4
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March 30, 2026
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Bug of ase.build.surface?
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1
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20
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March 26, 2026
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for parse of molden file
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0
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14
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March 12, 2026
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Is it not possible to optimize periodic structures in ASE using DFTB+ calculator?
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1
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30
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February 19, 2026
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A bug in write_espresso_in function
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1
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25
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February 19, 2026
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Ensemble or single seed for gold nanorod growth study
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1
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19
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January 22, 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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23
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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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44
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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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41
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December 8, 2025
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Doubt with phonon dispersion
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6
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91
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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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30
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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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48
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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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120
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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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51
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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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41
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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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57
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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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56
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August 4, 2025
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Issue reading POSCAR file
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5
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137
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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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58
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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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123
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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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703
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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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83
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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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910
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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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42
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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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724
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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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122
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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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49
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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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48
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April 13, 2025
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Typo of Inhomogenous_NPTBerendsen
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0
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34
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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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211
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March 11, 2025
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