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Failed test report
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1
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16
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August 13, 2022
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ModuleNotFoundError: No module named 'ase.build'; 'ase' is not a package
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1
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17
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August 13, 2022
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Transform unit cell to orthogonal cell
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1
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21
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July 28, 2022
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How to to dope in a structure?
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1
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57
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July 1, 2022
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LAMMPS calculator failed to perform structual optimization in ASE
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0
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46
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June 27, 2022
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Lattice constant of Ag using GPAW
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2
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48
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June 24, 2022
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Why VASP calculation on ASE created slab cannot start?
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0
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53
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May 31, 2022
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Visualizing Phonon modes
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0
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52
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May 18, 2022
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Unable to read OUTCAR from vasp calculation using ase.io.read?
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0
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155
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May 8, 2022
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Errors in ASE
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0
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74
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April 27, 2022
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How to load structures including Deuterium with ASE
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1
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61
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April 27, 2022
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How to address the output of QE+ASE run as a database?
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0
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66
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April 13, 2022
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How to convert primitive cell to conventional cell?
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3
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417
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April 12, 2022
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Cube file save problem
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3
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94
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April 11, 2022
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How to pass QE amorphous structure to ASE
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1
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73
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April 11, 2022
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Ase installation test error
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1
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144
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April 11, 2022
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Width in DOS
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1
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106
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April 11, 2022
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Errors in ase test
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1
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93
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April 11, 2022
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Can ASE write png images with cross mark on the fixed atoms just as shown in the ase gui?
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1
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98
|
March 8, 2022
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GPAW atoms limit
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1
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100
|
February 21, 2022
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ASE Calculators for DFT Codes with spin constraints (e.g. SPHInX)
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0
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106
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February 9, 2022
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Converting units
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1
|
113
|
January 27, 2022
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ASE reading and writing POSCAR with selective dynamics
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0
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259
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January 15, 2022
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TypeError: __init__() got multiple values for argument 'atoms'
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1
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342
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January 14, 2022
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What is the velocity unit for atoms object?
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2
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230
|
January 11, 2022
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Going from MEP to ASE-NEB
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0
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113
|
January 9, 2022
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What is the principle of generating INCAR tags in ASE?
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0
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98
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January 5, 2022
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Why the "ase.io.read()" doesn't work?
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3
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365
|
December 28, 2021
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How to make JSON serializable to finalize ase-neb calculations using siesta calculator?
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0
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100
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December 18, 2021
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ASE convesion of Trajectory file to XDATCAR
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0
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213
|
December 8, 2021
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