|
`ase.build.bulk` doesn't support `tetragonal`
|
|
1
|
25
|
July 12, 2026
|
|
ASE-3.29 released
|
|
2
|
114
|
June 29, 2026
|
|
A bug in write_espresso_in function
|
|
4
|
75
|
June 28, 2026
|
|
New web page & documentation moved
|
|
0
|
22
|
June 23, 2026
|
|
Question about unit specification in extxyz format
|
|
5
|
78
|
June 15, 2026
|
|
Phonon dispersion with Non-analytic corrections
|
|
3
|
49
|
June 10, 2026
|
|
Raman spectroscopy
|
|
2
|
334
|
June 10, 2026
|
|
Ensemble or single seed for gold nanorod growth study
|
|
3
|
45
|
June 10, 2026
|
|
Bug of ase.build.surface?
|
|
5
|
79
|
May 21, 2026
|
|
error in conversion of cube to xsf file
|
|
1
|
32
|
May 12, 2026
|
|
Is it not possible to optimize periodic structures in ASE using DFTB+ calculator?
|
|
2
|
68
|
April 22, 2026
|
|
for parse of molden file
|
|
0
|
27
|
March 12, 2026
|
|
Issue with ASE's ORCA Output Parsing: Missing "CENTER OF MASS" Line Causes Dipole Moment Calculation Error
|
|
0
|
48
|
January 11, 2026
|
|
Use of ase convert from the command line
|
|
1
|
74
|
December 8, 2025
|
|
Units of ASE vib.H (Hessian) and vib.get_mode()
|
|
1
|
61
|
December 8, 2025
|
|
Doubt with phonon dispersion
|
|
6
|
135
|
October 30, 2025
|
|
Get dipole moment per unit cell in a supercell
|
|
0
|
50
|
October 27, 2025
|
|
applying biaxial strain in cubic system
|
|
1
|
67
|
October 3, 2025
|
|
How should I rattle an ASE Atoms object to improve convergence in DFTB+?
|
|
1
|
159
|
August 27, 2025
|
|
ASE@psi-k get-together
|
|
0
|
55
|
August 26, 2025
|
|
ASE website moved to https://ase-lib.org
|
|
0
|
55
|
August 8, 2025
|
|
How to build a MoS2 nanotube using ase?
|
|
1
|
87
|
August 4, 2025
|
|
Terminating a minimization based on condition
|
|
2
|
74
|
August 4, 2025
|
|
Issue reading POSCAR file
|
|
5
|
173
|
July 25, 2025
|
|
Combined dynamics module in ASE
|
|
4
|
82
|
July 16, 2025
|
|
Compute electrostatic energy of lattice by Ewald sumation?
|
|
4
|
165
|
July 16, 2025
|
|
Calculator wrapper for g-xTB
|
|
4
|
909
|
July 15, 2025
|
|
How does FixSymmetry command work?
|
|
1
|
113
|
July 15, 2025
|
|
ValueError: One or more NEB images share the same calculator. DFTB calculator
|
|
5
|
939
|
July 14, 2025
|
|
Permission Denied to read/write a .traj file in the tutorial
|
|
1
|
52
|
June 10, 2025
|